Basic information
- CAS
99901-03-8- Standard SMILES
CCC(COC(=O)CCN1CC1)[N+](=O)[O-]- InChIKey
DNTVUWGGCUFURX-UHFFFAOYSA-N- Molecular formula
- C9H16N2O4
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.111007
Names & identifiers
- Preferred name
- 1-Aziridinepropionic acid, 2-nitrobutyl ester
- IUPAC
- 2-nitrobutyl 3-(aziridin-1-yl)propanoate
Names & synonyms
99901-03-81-AZIRIDINEPROPIONIC ACID, 2-NITROBUTYL ESTERRefChem:10548971-Aziridinepropanoic acid, 2-nitrobutyl ester2-nitrobutyl 3-(aziridin-1-yl)propanoatePropionic acid, 3-(1-aziridinyl)-, 2-nitrobutyl esterDTXSID10912408
Database identifiers
- CAS
99901-03-8- PubChem CID
- 57571
- DTXSID
DTXSID10912408- Nikkaji
- J84.760G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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