Methyl(α-methylbenzyl)nitrosamine

Modify Date: 2025-09-17 11:22:53

Methyl(α-methylbenzyl)nitrosamine Structure
Methyl(α-methylbenzyl)nitrosamine structure
Common Name Methyl(α-methylbenzyl)nitrosamine
CAS Number 68690-89-1 Molecular Weight 164.20400
Density 1.02g/cm3 Boiling Point 295.3ºC at 760 mmHg
Molecular Formula C9H12N2O Melting Point N/A
MSDS N/A Flash Point 132.4ºC

 Names

Name N-methyl-N-(1-phenylethyl)nitrous amide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.02g/cm3
Boiling Point 295.3ºC at 760 mmHg
Molecular Formula C9H12N2O
Molecular Weight 164.20400
Flash Point 132.4ºC
Exact Mass 164.09500
PSA 32.67000
LogP 2.36080
Index of Refraction 1.524
InChIKey BSVVIIHAZGTBGJ-UHFFFAOYSA-N
SMILES CC(c1ccccc1)N(C)N=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DP4730000
CHEMICAL NAME :
Benzylamine, alpha,N-dimethyl-N-nitroso-
CAS REGISTRY NUMBER :
68690-89-1
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H12-N2-O
MOLECULAR WEIGHT :
164.23
WISWESSER LINE NOTATION :
ONN1&Y1&R

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. (Berlin, Fed. Rep. Ger.) V.76-92, 1971-78. For publisher information, see JCROD7. Volume(issue)/page/year: 92,235,1978 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
610 mg/kg/59W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
REFERENCE :
ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie. (Berlin, Fed. Rep. Ger.) V.76-92, 1971-78. For publisher information, see JCROD7. Volume(issue)/page/year: 92,235,1978

 Synthetic Route

~90%

Methyl(α-methylbenzyl)nitrosamine Structure

Methyl(α-methyl...

CAS#:68690-89-1

Literature: Chantrapromma, Kan; Ollis, W. David; Sutherland, Ian O. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1983 , # 5 p. 1029 - 1039

 Synonyms

Ethylamine,N-methyl-N-nitroso-1-phenyl
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