Basic information
- CAS
56316-37-1- Standard SMILES
CCCN(CCCC(=O)O)N=O- InChIKey
YWDAVUKHNHOYAX-UHFFFAOYSA-N- Molecular formula
- C7H14N2O3
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.10044231
Overview
4-[nitroso(propyl)amino]butanoic acid is a straight-chain fatty acid.
Names & identifiers
- Preferred name
- N-Propyl-N-(3-carboxypropyl)nitrosamine
- IUPAC
- 4-[nitroso(propyl)amino]butanoic acid
- English name
- N-Propyl-N-(3-carboxypropyl)nitrosamine
- Molecular formula
- C7H14N2O3
- Molecular weight
- 174.2
Names & synonyms
4-[nitroso(propyl)amino]butanoic acid56316-37-1N-Propyl-N-(3-carboxypropyl)nitrosamineBUTYRIC ACID, 4-(N-NITROSOPROPYLAMINO)-CCRIS 1249BRN 2250186Butanoic acid, 4-(nitrosopropylamino)-3MPK9M9XQPDTXSID90204858CHEBI:2315454-(Nitrosopropylamino)butanoic acidAKOS006277951
Show more names
4-(N-Nitroso-N-propylamino)butyric acid
EBC-395083Propyl-N-(3-carboxypropyl)nitrosamine, N-EN300-7814472
Database identifiers
- CAS
56316-37-1- PubChem CID
- 41843
- DTXSID
DTXSID90204858- ChEBI
CHEBI:231545- UNII
- 3MPK9M9XQP
- EC Number
- 883-257-9
- Nikkaji
- J67.400A
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 305.17 °C · 305.17°C (rough estimate)
- Density
- 1.2227 · 1.2227 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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