4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline
Basic information
- CAS
34972-41-3- Standard SMILES
Clc1ccc(N(CC2CO2)CC2CO2)cc1- InChIKey
CEGOCWZGIDQKJH-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- 4-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline
- IUPAC
- 4-chloro-N,N-bis(oxiran-2-ylmethyl)aniline
Names & synonyms
MLS00260791234972-41-3NSC35363CHEMBL1895298SCHEMBL11712611DTXSID10284071HMS3078M08NSC-35363SMR001526673DS-0135304-Chloro-N,N-bis[(oxiran-2-yl)methyl]aniline2-Oxiranemethanamine,n-(4-chlorophenyl)-n-(2-oxiranylmethyl)-
Database identifiers
- CAS
34972-41-3- PubChem CID
- 234789
- DTXSID
DTXSID10284071- ChEMBL
CHEMBL1895298
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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