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Methyl 3-(methylnitrosoamino)propanoate

Methyl 3-(methylnitrosoamino)propanoate structure

CAS No:
383417-47-8
Formula:
C5H10N2O3
Chemical Name:
Methyl 3-(methylnitrosoamino)propanoate
Synonyms:
Propanoic acid,3-(methylnitrosoamino)-,methyl ester;β-Alanine,N-methyl-N-nitroso-,methyl ester;Methyl 3-(methylnitrosoamino)propanoate

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Methyl 3-(methylnitrosoamino)propanoate Basic Attributes

Molecular Weight：

146.14

Exact Mass：

146.14

UNII：

JW81R22BE8

DSSTox ID：

DTXSID00407873

Characteristics

PSA：

58.97000

XLogP3：

0.16270

Density：

1.14±0.1 g/cm3

Melting Point：

24-26°C

Boiling Point：

265.6±23.0 °C(Predicted)

Flash Point：

163.374ºC

Refractive Index：

1.5

PKA：

-4.93±0.70

Methyl 3-(methylnitrosoamino)propanoate Use and Manufacturing

The methyl ester of the N-nitrosamino acid, N-nitroso-N-methylaminopropionic acid isolated from various tobacco products. The occurence of N-nitrosamino acids such as N-nitroso-N-methylaminopropionic acid, is highly correlated with levels of tobacco-specific-nitrosamines, highly volatile, carcinogenic compounds.

Computed Properties

Molecular Weight:146.14
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:146.06914219
Monoisotopic Mass:146.06914219
Topological Polar Surface Area:59
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Methyl 3-(methylnitrosoamino)propanoate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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