TRANS-3'-HYDROXYCOTININE, METHYL-D3 Chemical Properties

Melting point:

103-106°C

Flash point:

9℃

storage temp. 

-20°C Freezer

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

color 

White to Pale Yellow

Stability:

Hygroscopic

Major Application

forensics and toxicology

InChI

1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1/i1D3

InChIKey

XOKCJXZZNAUIQN-IRPRQUBLSA-N

SMILES

N1([C@@H](C[C@H](C1=O)O)c2cnccc2)C([2H])([2H])[2H]

CAS DataBase Reference

159956-78-2

Safety Information

Hazard Codes 

F,T

Risk Statements 

11-23/24/25-39/23/24/25

Safety Statements 

7-16-36/37-45

RIDADR 

UN1230 - class 3 - PG 2 - Methanol

WGK Germany 

1

Storage Class

3 - Flammable liquids

Hazard Classifications

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1

TRANS-3'-HYDROXYCOTININE, METHYL-D3 Usage And Synthesis

Chemical Properties

Off-White Solid

Uses

A labelled metabolite of Nicotine. Carcinogen.-20?C Freezer

Uses

A labelled metabolite of Nicotine. Carcinogen.( -20?C Freezer)

General Description

Trans-3′-Hydroxycotinine is a major nicotine metabolite excreted in the urine of smokers and users of other tobacco or nicotine products including cigars, chewing tobacco and snuff. This certified Snap-N-Spike^? solution is suitable for use as an internal standard for quantification of trans-3′-Hydroxycotinine levels in urine or other matrices for nicotine testing by LC-MS/MS or GC/MS.

TRANS-3'-HYDROXYCOTININE, METHYL-D3(159956-78-2)Related Product Information

• DIMETHYL SULFOXIDE-D6
• (-)-COTININE