Basic information
- CAS
64005-58-9- Standard SMILES
CCCCN(CNC(C)=O)N=O- InChIKey
JCPKHEANEFEVNT-UHFFFAOYSA-N- Molecular formula
- C7H15N3O2
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.11642673
Names & identifiers
- Preferred name
- Acetamide, N-((butylnitrosoamino)methyl)-
- IUPAC
- N-[[butyl(nitroso)amino]methyl]acetamide
- English name
- N-[(Butylnitrosoamino)methyl]acetamide
- Molecular formula
- C7H15N3O2
- Molecular weight
- 173.21
Names & synonyms
64005-58-9Acetamide, N-((butylnitrosoamino)methyl)-n-{[butyl(nitroso)amino]methyl}acetamideTI3YW7M6JQn-Butyl-N-acetylaminomethylnitrosamineNSC-239279N-((butyl(nitroso)amino)methyl)acetamideAcetamide, N-[(butylnitrosoamino)methyl]-NSC239279UNII-TI3YW7M6JQWLN: ONN4&1MV1DTXSID40213990
Show more names
N-[(Butylnitrosoamino)methyl]acetamide
NSC 239279N-[(butylnitrosoamino)methyl ]acetamideDB-320651N-((BUTYLNITROSOAMINO)METHYL)ACETAMIDEBUTYL-N-(ACETYLAMINOMETHYL)NITROSAMINE, N-
Database identifiers
- CAS
64005-58-9- PubChem CID
- 99536
- DTXSID
DTXSID40213990- UNII
- TI3YW7M6JQ
- Nikkaji
- J3.204B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- FDA UNII
- 3 YW7M6JQ · TI3YW7M6JQ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…