N-Nitrosobutylamine
Basic information
- CAS
56375-33-8- Standard SMILES
CCCCNN=O- InChIKey
YUJNJHQIIBWORM-UHFFFAOYSA-N- Molecular formula
- C4H10N2O
- Average molar mass
- 102.14 g/mol
- Monoisotopic mass
- 102.07931295
Names & identifiers
- Preferred name
- N-Nitrosobutylamine
- IUPAC
- N-butylnitrous amide
- English name
- Butylnitrosamine
- Molecular formula
- C4H10N2O
- Molecular weight
- 102.14
Names & synonyms
ButylnitrosamineN-NITROSOBUTYLAMINENitrosobutylamine1-Butanamine, N-nitroso-Butylamine, N-nitroso-Butanamine, N-nitroso-UNII-K2D3QY0W8UK2D3QY0W8UDTXSID0074057RefChem:163983DTXCID7042061N-butylnitrous amide
Show more names
56375-33-8nitroso-n-butylamineN-Nitroso-1-butanamineSCHEMBL4936672(E)-1-Butyl-2-hydroxydiazene(Z)-1-Butyl-2-hydroxydiazeneSCHEMBL13965279SCHEMBL14923623
Database identifiers
- CAS
56375-33-8- PubChem CID
- 41855
- DTXSID
DTXSID0074057- UNII
- K2D3QY0W8U
- Nikkaji
- J1.728.720F、J70.106H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 47
Physicochemical properties
- Boiling point
- 191.46 °C · 191.46°C (rough estimate)
- Density
- 1.0739 · 1.0739 (rough estimate)
- refractive index
- 1.4386 · 1.4386 (estimate)
- FDA UNII
- 2 D3QY0W8U · K2D3QY0W8U
- EPA Substance Registry System
- 1 · 1-Butanamine, N-nitroso- (56375-33-8)
- Toxicity
- 350 mg/kg · cyt-rat-orl 350 mg/kg ZKKOBW 86,47,76
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- cyt-rat-orl 350 mg/kg ZKKOBW 86,47,76
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Related reactions
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Compound notes
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