Benzylamine, N,N-bis(2-chloroethyl)-p-methyl-
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Basic information
- CAS
30389-85-6- Standard SMILES
Cc1ccc(CN(CCCl)CCCl)cc1- InChIKey
VUZQZEAXMQHUMJ-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2N
- Average molar mass
- 246.17 g/mol
- Monoisotopic mass
- 245.0738049
Names & identifiers
- Preferred name
- Benzylamine, N,N-bis(2-chloroethyl)-p-methyl-
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]ethanamine
- English name
- N,N-Bis(2-chloroethyl)-p-methylbenzylamine
- Molecular formula
- C12H17Cl2N
- Molecular weight
- 246.18
Names & synonyms
30389-85-6p-Methyl-dcbaBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-p-METHYL-N,N-Bis(2-chloroethyl)-4-methylbenzylamineN,N-Bis(2-chloroethyl)-p-methylbenzylamineBRN 2694186p-Methyl-di-(2-chloroethyl)-benzylamineDTXSID801844734-12-00-02575 (Beilstein Handbook Reference)RefChem:328797DTXCID901069642-chloro-N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]ethanamine
Show more names
N,N-bis(2-chloroethyl)-4-methylbenzenemethanamineBenzenemethanamine, N,N-bis(2-chloroethyl)-4-methyl-
NCIOpen2_002958SCHEMBL996485VUZQZEAXMQHUMJ-UHFFFAOYSA-Nbis(2-chloroethyl)(4-methylbenzyl)amineDA-42858benzylamine, N,N-bis(2-chloroethyl)-4-methyl-2-Chloro-N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]ethan-1-amine
Database identifiers
- CAS
30389-85-6- PubChem CID
- 19185
- DTXSID
DTXSID80184473- Nikkaji
- J66.040J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Boiling point
- 263.6 · 263.6±25.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- pka
- 4.16 · 4.16±0.50(Predicted)
Related reactions
1 records
Compound notes
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