4-(Methylnitrosoamino)butanoic acid
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4-(Methylnitrosoamino)butanoic acid
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CAS No:
61445-55-4
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Formula:
C5H10N2O3
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Chemical Name:
4-(Methylnitrosoamino)butanoic acid
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Synonyms:
Butanoic acid,4-(methylnitrosoamino)-;4-(Methylnitrosoamino)butanoic acid;N-Methyl-N-(3-carboxypropyl)nitrosamine
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CAS No:
Description
N-nitroso-N-methyl-4-aminobutyric acid is a nitrosamine that has methyl and 3-carboxypropyl substituents. It is a tobacco-derived nitrosamino acid that is a known animal and potential human carcinogen. It induces bladder transitional cell carcinomas in rats and has recently been identified as a contaminant in certain blood pressure medications. It has a role as a carcinogenic agent, a rat metabolite, a xenobiotic metabolite and a plant metabolite. It is a monocarboxylic acid and a nitrosamine.
Characteristics
69.97000
0.46440
1.22g/cm3
>25 °C
364ºC at 760 mmHg
173.9ºC
1.497
Hygroscopic, -20ºC Freezer, Under Inert Atmosphere
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:146.14
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:146.06914219
Monoisotopic Mass:146.06914219
Topological Polar Surface Area:70
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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