Basic information
- CAS
99900-87-5- Standard SMILES
CC1CN1CCC(=O)Nc1ccc(Cl)c(Cl)c1- InChIKey
BIGDCHHKPXJJOC-UHFFFAOYSA-N- Molecular formula
- C12H14Cl2N2O
- Average molar mass
- 273.15 g/mol
- Monoisotopic mass
- 272.0483185
Names & identifiers
- Preferred name
- 1-Aziridinepropionamide, N-(3,4-dichlorophenyl)-2-methyl-
- IUPAC
- N-(3,4-dichlorophenyl)-3-(2-methylaziridin-1-yl)propanamide
Names & synonyms
99900-87-51-AZIRIDINEPROPIONAMIDE, N-(3,4-DICHLOROPHENYL)-2-METHYL-RefChem:1054895N-(3,4-Dichlorophenyl)-2-methyl-1-aziridinepropionamideNSC162122N-(3,4-Dichlorophenyl)-3-(2-methyl-1-aziridinyl)-propionamideDTXSID40912411NSC-162122N-(3,4-Dichlorophenyl)-3-(2-methylaziridin-1-yl)propanimidic acid
Database identifiers
- CAS
99900-87-5- PubChem CID
- 57555
- DTXSID
DTXSID40912411- Nikkaji
- J84.735F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…