Bis(2-chloroethyl)amine
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Basic information
- CAS
334-22-5- Standard SMILES
ClCCNCCCl- InChIKey
TXFLGZOGNOOEFZ-UHFFFAOYSA-N- Molecular formula
- C4H9Cl2N
- Average molar mass
- 142.02 g/mol
- Monoisotopic mass
- 141.0112047
Names & identifiers
- Preferred name
- Bis(2-chloroethyl)amine
- IUPAC
- 2-chloro-N-(2-chloroethyl)ethanamine
- English name
- Nornitrogen mustard
- Molecular formula
- C4H9Cl2N
- Molecular weight
- 142.03
Names & synonyms
Bis(2-chloroethyl)amineNornitrogen mustard334-22-5Nor-mustard2-chloro-N-(2-chloroethyl)ethanamineNor-N-mustardNor-nitrogen mustardBis(chloroethyl)amineNh-lost2,2'-DichlorodiethylamineDi(2-chloroethyl)amineEthanamine, 2-chloro-N-(2-chloroethyl)-
Show more names
Ifosfamide Impurity 191,1'-Iminobis(2-chloroethane)
DIETHYLAMINE, 2,2'-DICHLORO-IHV3I38UXHCHEBI:37599DTXSID60187028bis[2-chloroethyl]amineRefChem:120076DTXCID70109519Nor-mechlorethamine
Database identifiers
- CAS
334-22-5- PubChem CID
- 9533
- DTXSID
DTXSID60187028- ChEMBL
CHEMBL913- ChEBI
CHEBI:37599- UNII
- IHV3I38UXH
- Nikkaji
- J126.297A
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 28
Experimental & physicochemical properties
Kovats Retention Index1087
Physicochemical properties
- Boiling point
- 231.44 °C · 231.44°C (rough estimate)
- Density
- 1.3111 · 1.3111 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- -20 °C, · -20°C, protect from light
- pka
- 7.02 · 7.02±0.19(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 3 I38UXH · IHV3I38UXH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 142mg/kg
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
- LD50 intraperitoneal in mouse: 142mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsKidney；Liver
Metabolite PathwaysCyclophosphamide Action Pathway；Cyclophosphamide Metabolism Pathway
Upstream & downstream products
Downstream products
Additional notes
Related reactions
116 records
Compound notes
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