beta-Alanine, N-(nitrosomethyl)-
Basic information
- CAS
133201-38-4- Standard SMILES
O=NCNCCC(=O)O- InChIKey
XBRKUIXCVYAFTG-UHFFFAOYSA-N- Molecular formula
- C4H8N2O3
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.05349212
Names & identifiers
- Preferred name
- beta-Alanine, N-(nitrosomethyl)-
- IUPAC
- 3-(nitrosomethylamino)propanoic acid
Names & synonyms
beta-Alanine, N-(nitrosomethyl)-N-(Nitrosomethyl)-beta-alanine133201-38-4DTXSID60157988RefChem:328930DTXCID3080479G3SL92FXJ23-(N-nitrosomethylamino)propionic acid3-[(NITROSOMETHYL)AMINO]PROPANOIC ACID
Database identifiers
- CAS
133201-38-4- PubChem CID
- 179909
- DTXSID
DTXSID60157988- UNII
- G3SL92FXJ2
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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