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Merck
CN

N4007

N-Nitroso-N-methylbutylamine

Synonym(s):

Methylbutylnitrosamine

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About This Item

Empirical Formula (Hill Notation):
C5H12N2O
CAS Number:
7068-83-9
Molecular Weight:
116.16
NACRES:
NA.25
PubChem Substance ID:
24897361
UNSPSC Code:
12352116
MDL number:
MFCD00056645

Key Documents

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InChI

1S/C5H12N2O/c1-3-4-5-7(2)6-8/h3-5H2,1-2H3

SMILES string

CCCCN(C)N=O

InChI key

PKTSCJXWLVREKX-UHFFFAOYSA-N

form

liquid

density

0.93 g/mL (lit.)

storage temp.

2-8°C

Quality Level

200

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Packaging

Bulk package

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Carc. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
107F0471
084F0565

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J G Farrelly et al.
Cancer research, 42(6), 2105-2109 (1982-06-01)
With the use of rat liver preparations, the in vitro microsomal metabolism of methylethylnitrosamine, methyl-n-butylnitrosamine, and methyl(2-phenylethyl)nitrosamine labeled with deuterium in the methyl and alpha-methylene positions has been compared with that of the parent (unlabeled) compounds. All three forms of
K E Appel et al.
Carcinogenesis, 7(4), 659-663 (1986-04-01)
To demonstrate whether there are any pathways of nitrite formation from N-nitrosamines other than reductive denitrosation by cytochrome P-450 we performed the following experiments. An esterified alpha-hydroxylated nitrosamine was incubated in a microsomal system to test if nitrite generation is
Nozomi Tsutsumi et al.
Bioorganic & medicinal chemistry, 18(23), 8284-8288 (2010-10-30)
N-Nitrosodialkylamines are known to be potent indirect-acting mutagens/carcinogens, which are activated by cytochrome P450. The reaction product of N-nitroso-N-methylbutylamine (NMB) with modified Fenton's reagent supplemented with copper salt (Fe²(+)-Cu²(+)-H₂O₂) was reported to be mutagenic in Salmonella typhimurium TA1535 without S9
Q Huang et al.
Cancer letters, 69(2), 107-116 (1993-04-30)
We studied the metabolism of methyl-n-butyl-nitrosamine (MBN), a carcinogen for the rat esophagus and liver. The 2-, 3- and 4-hydroxy derivatives were identified as new metabolites of MBN. In studies on tissue slices freshly removed from MRC-Wistar rats, MBN metabolism
T Gichner et al.
Mutagenesis, 1(2), 107-109 (1986-03-01)
The organic solvents dimethylsulphoxide (DMSO), acetone, ethanol and dimethylformamide inhibited the mutagenic activity of the promutagens dimethylnitrosamine and methylbutylnitrosamine in a higher plant Arabidopsis thaliana. In contrast, the direct-acting mutagens N-methyl-N'-nitro-N-nitrosoguanidine (MNNG) and N-methyl-N-nitrosourea (MNU) were not affected by the
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