ChemicalBook > CAS DataBase List > 3-(BENZYLAMINO)PROPIONITRILE

3-(BENZYLAMINO)PROPIONITRILE

Product Name
3-(BENZYLAMINO)PROPIONITRILE
CAS No.
706-03-6
Chemical Name
3-(BENZYLAMINO)PROPIONITRILE
Synonyms
β-(Benzylamino)propionitrile;3-(BENZYLAMINO)PROPIONITRILE;2-(Benzylamino)propionitrile;3-(Benzylamino)propionitrile 97%;3-(BENZYLAMINO)PROPIONITRILE, 97+%;N-(2-Cyanoethyl)benzenemethanamine;3-[(Phenylmethyl)amino]propanenitrile;Propanenitrile, 3-[(phenylmethyl)amino]-
CBNumber
CB1159680
Molecular Formula
C10H12N2
Formula Weight
160.22
MOL File
706-03-6.mol
More
Less

3-(BENZYLAMINO)PROPIONITRILE Property

Melting point:
70 °C
Boiling point:
276.13°C (rough estimate)
Density 
1.024 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.5308(lit.)
Flash point:
>230 °F
storage temp. 
Refrigerator
solubility 
Soluble in DMSO.
form 
Liquid
pka
7.29±0.19(Predicted)
color 
Clear Colorless
Specific Gravity
1.024
InChI
1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2
InChIKey
MWTGBAURSCEGSL-UHFFFAOYSA-N
SMILES
N#CCCNCc1ccccc1
CAS DataBase Reference
706-03-6
More
Less

Safety

Hazard Codes 
Xn,Xi
Risk Statements 
20/21/22-36/37/38
Safety Statements 
26-37/39
RIDADR 
UN3276
WGK Germany 
3
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269095
Storage Class
10 - Combustible liquids
Hazard Classifications
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
More
Less

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

More
Less

N-Bromosuccinimide Price

Sigma-Aldrich
Product number
185167
Product name
3-(Benzylamino)propionitrile
Purity
97%
Packaging
25g
Price
$98.2
Updated
2023/06/20
Sigma-Aldrich
Product number
185167
Product name
3-(Benzylamino)propionitrile
Purity
97%
Packaging
100g
Price
$256
Updated
2023/06/20
TRC
Product number
B224890
Product name
β-(Benzylamino)propionitrile
Packaging
50g
Price
$375
Updated
2021/12/16
AK Scientific
Product number
J57119
Product name
3-(Benzylamino)propanenitrile
Packaging
1g
Price
$15
Updated
2021/12/16
AK Scientific
Product number
8476AE
Product name
3-(Benzylamino)propanenitrile
Packaging
1g
Price
$21
Updated
2021/12/16
More
Less

3-(BENZYLAMINO)PROPIONITRILE Chemical Properties,Usage,Production

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:

  • (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds
  • 1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
  • 3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile

Uses

3-(BenzylaMino)propionitrile is used in the michael addition of primary and secondary amines to acrylonitrile catalyzed by lipases.

Application

3-(Benzylamino)propionitrile was used as starting reagent in the synthesis of:
(3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid, key chiral building block for synthesis of biologically active compounds
1-{[benzyl-(2-cyano-ethyl)-amino]-methyl}-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
3-[benzyl-(3,5-dimethyl-pyrazol-1-ylmethyl)-amino]-propionitrile

General Description

3-(Benzylamino)propionitrile undergoes aza-type Michael reaction with 1-hydroxymethyl-5-methyl-1H-pyrazole-3-carboxylic acid ethyl ester under mild conditions.

3-(BENZYLAMINO)PROPIONITRILE Preparation Products And Raw materials

Raw materials

Preparation Products

More
Less

3-(BENZYLAMINO)PROPIONITRILE Suppliers

Belgium 1 Canada 1 China 51 Germany 1 Japan 1 Switzerland 1 United Kingdom 1 United States 4 Global 61
Creasyn Finechem(Tianjin) Co., Ltd.
Tel
022-83946278 13820503911
Fax
022-83945176
Email
sales@creasyn.com
Country
China
ProdList
980
Advantage
68
J & K SCIENTIFIC LTD.
Tel
18210857532; 18210857532
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
4006356688 18621169109
Fax
86-21-61259102
Email
market03@meryer.com
Country
China
ProdList
40228
Advantage
62
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
Energy Chemical
Tel
021-021-58432009 400-005-6266
Fax
021-58436166
Email
sales8178@energy-chemical.com
Country
China
ProdList
44801
Advantage
61
Beijing Ouhe Technology Co., Ltd
Tel
010-010-82967028 13522913783
Fax
+86-10-82967029
Email
2355560935@qq.com
Country
China
ProdList
11999
Advantage
60
Shandong Xiya Chemical Co., Ltd
Tel
13355009207 13355009207
Fax
0539-6365991
Email
3007715519@qq.com
Country
China
ProdList
18729
Advantage
57
Sichuan Kulinan Technology Co., Ltd
Tel
400-1166-196 18981987031
Fax
028-84555506 800101999
Email
cdhxsj@163.com
Country
China
ProdList
11705
Advantage
57
Tianjin heowns Biochemical Technology Co., Ltd.
Tel
400 638 7771
Email
sales@heowns.com
Country
China
ProdList
14435
Advantage
57
Thermo Fisher Scientific
Tel
800-810-5118
Fax
+86-10-84193589
Email
cnchemical@thermofisher.com
Country
China
ProdList
17770
Advantage
75

706-03-6, 3-(BENZYLAMINO)PROPIONITRILERelated Search:

3-(BENZYLAMINO)PROPIONITRILE 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE 1-Benzhydrylazetane-3-carbonitrile 3-(4-CHLORO-BENZYLAMINO)-PROPIONITRILE Propionitrile 6-(4-FLUOROPHENYL)-1,2-DIHYDRO-2-OXOPYRIDINE-3-CARBONITRILE N-(2-CYANOETHYL)-PHTHALIMIDE 2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 6-(4-CHLOROPHENYL)-1-(3,4-DICHLOROBENZYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 4-(METHYLTHIO)-6-OXO-2-PHENYL-1,6-DIHYDROPYRIMIDINE-5-CARBONITRILE 1-(3-CHLOROBENZYL)-2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 1-(3,4-DICHLOROBENZYL)-6-(4-FLUOROPHENYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 1-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-3-(4-FLUOROBENZYL)-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE N1,N1-DI(2-CYANOETHYL)-4-CHLORO-3-NITROBENZAMIDE 6-(4-FLUOROPHENYL)-2-OXO-1-[3-(TRIFLUOROMETHYL)BENZYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 1-(2-CHLOROBENZYL)-2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 1-(4-CHLOROBENZYL)-6-(DIMETHOXYMETHYL)-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE 1-METHYL-4-(METHYLSULFANYL)-2-OXO-6-PHENYL-1,2-DIHYDRO-3-PYRIDINECARBONITRILE

  • 3-(BENZYLAMINO)PROPIONITRILE
  • 3-(BENZYLAMINO)PROPIONITRILE, 97+%
  • 3-[(Phenylmethyl)amino]propanenitrile
  • N-(2-Cyanoethyl)benzenemethanamine
  • β-(Benzylamino)propionitrile
  • 3-(Benzylamino)propionitrile 97%
  • Propanenitrile, 3-[(phenylmethyl)amino]-
  • 2-(Benzylamino)propionitrile
  • 706-03-6
  • C10H12N2
  • C6H5CH2NHCH2CH2CN
  • Nitrogen Compounds
  • Organic Building Blocks
  • Cyanides/Nitriles
  • Building Blocks
  • C10 to C27
  • C10 to C27
  • Cyanides/Nitriles
  • Nitrogen Compounds