p-Toluidine, N,N-bis(2-chloroethyl)-
Basic information
- CAS
1204-68-8- Standard SMILES
Cc1ccc(N(CCCl)CCCl)cc1- InChIKey
GDPRJMAJFSDBKX-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N
- Average molar mass
- 232.15 g/mol
- Monoisotopic mass
- 231.05815484
Names & identifiers
- Preferred name
- p-Toluidine, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)-4-methylaniline
- English name
- N,N-Bis(2-chloroethyl)-4-methylaniline
- Molecular formula
- C11H15Cl2N
- Molecular weight
- 232.15
Names & synonyms
N,N-Bis(2-chloroethyl)-4-methylanilineN,N-Bis(2-chloroethyl)-p-toluidineN,N-Bis(2-chloroethyl)-4-methylbenzenaminep-Toluidine, N,N-bis(2-chloroethyl)-p-N,N-Di(2-chloroethyl)toluidineBenzenamine, N,N-bis(2-chloroethyl)-4-methyl-CCRIS 2844NSC 294980BRN 2099441DTXSID301528493-12-00-02028 (Beilstein Handbook Reference)RefChem:367810
Show more names
N,N-Bis(2-chlorethyl)-p-toluidin
DTXCID2075340Benzenamine, N,N-bis(2-chloroethyl)-4-methyl-(9CI)1204-68-8Benzenamine,N,N-bis(2-chloroethyl)-4-methyl-NSC-294980NSC294980HRM9RB6H2UCHEMBL278918
Database identifiers
- CAS
1204-68-8- PubChem CID
- 100400
- DTXSID
DTXSID30152849- ChEMBL
CHEMBL278918- UNII
- HRM9RB6H2U
- Nikkaji
- J271.545G
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 138
Physicochemical properties
- Melting point
- 43 · 43-45 °C
- Boiling point
- 336.8 · 336.8±32.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 4.86 · 4.86±0.50(Predicted)
- FDA UNII
- 9 RB6H2U · HRM9RB6H2U
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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