N-Benzylnormechlorethamine
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Basic information
- CAS
55-51-6- Standard SMILES
ClCCN(CCCl)Cc1ccccc1- InChIKey
VLWJKVNMRMHPCC-UHFFFAOYSA-N- Molecular formula
- C11H15Cl2N
- Average molar mass
- 232.15 g/mol
- Monoisotopic mass
- 231.05815484
Names & identifiers
- Preferred name
- N-Benzylnormechlorethamine
- IUPAC
- N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
- English name
- N,N-Bis(2-chloroethyl)benzenemethanamine
- Molecular formula
- C11H15Cl2N
- Molecular weight
- 232.15
Names & synonyms
55-51-6N,N-Bis(2-chloroethyl)benzenemethanamineN-benzyl-2-chloro-N-(2-chloroethyl)ethanamineN-BenzylnormechlorethamineN,N-Bis(2-chloroethyl)benzylaminebenzylbis(2-chloroethyl)amineBenzylbis(beta-chloroethyl)amineBenzyl nor-mechlorethamineTL 695Di-(2-chloroethyl)-benzylamineJDX1MEP6TIUNII-JDX1MEP6TI
Show more names
N-Benzyl-2-chloro-N-(2-chloroethyl)ethan-1-aminedcbaTrolamine Impurity 40benzylnor-mechlorethamineBenzylbis(β-chloroethyl)aminebenzyl-bis(2-chloroethyl)amine
BRN 2099546DTXSID402035334-12-00-02164 (Beilstein Handbook Reference)BIS(2-CHLOROETHYL)BENZYLAMINE, N,N-RefChem:202079DTXCID70126024Bis(2-chloroethyl)benzylamineBenzenemethanamine, N,N-bis(2-chloroethyl)-
Database identifiers
- CAS
55-51-6- PubChem CID
- 5928
- DTXSID
DTXSID40203533- UNII
- JDX1MEP6TI
- EC Number
- 923-860-7
- Nikkaji
- J2.315I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 148 · 148-150 °C
- Boiling point
- 371.94 °C · 371.94°C (rough estimate)
- Density
- 1.2093 · 1.2093 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- pka
- 4.15 · 4.15±0.30(Predicted)
- FDA UNII
- 1 MEP6TI · JDX1MEP6TI
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Toxicity
- 5000 ppm · dni-mus-ivg 5000 ppm JIDEAE 62,378,74
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- dni-mus-ivg 5000 ppm JIDEAE 62,378,74
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
103 records
Compound notes
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