o-Toluidine, N,N-bis(2-chloroethyl)-
Basic information
- CAS
1448-51-7- Standard SMILES
Cc1ccccc1N(CCCl)CCCl- InChIKey
QJUPTCXXMGQKIT-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N
- Average molar mass
- 232.15 g/mol
- Monoisotopic mass
- 231.0581549
Names & identifiers
- Preferred name
- o-Toluidine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)-2-methylaniline
Names & synonyms
1448-51-7o-Toluidine, N,N-bis(2-chloroethyl)-N,N-Bis(2-chloroethyl)-o-toluidineN,N-bis(2-chloroethyl)-2-methylanilineNSC18437SCHEMBL6820422CHEMBL3247508DTXSID20162811o-Toluidine,N-bis(2-chloroethyl)-NSC 18437NSC-18437DS-006631
Show more names
Benzenamine,N-bis(2-chloroethyl)-2-methyl-BENZENAMINE,N,N-BIS(2-CHLOROETHYL)-2-METHYL-
Database identifiers
- CAS
1448-51-7- PubChem CID
- 95111
- DTXSID
DTXSID20162811- ChEMBL
CHEMBL3247508
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 146
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Compound notes
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