Basic information
- CAS
36134-83-5- Standard SMILES
Cl.Nc1ccc(N(CCCl)CCCl)cc1- InChIKey
SNFZPEZEZZWYMP-UHFFFAOYSA-N- Molecular formula
- C10H15Cl3N2
- Average molar mass
- 269.6 g/mol
- Monoisotopic mass
- 268.03008152
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)
- IUPAC
- 4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine;hydrochloride
Names & synonyms
36134-83-5p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochlorideDTXSID30189711RefChem:1053151DTXCID901122021,4-Benzenediamine, N1,N1-bis(2-chloroethyl)-, hydrochloride (1:?)945-68-6p-Phenylenediamine, N-bis(2-chloroethyl)-, hydrochloride1,4-Benzenediamine, N,N-bis(2-chloroethyl)-, hydrochlorideCHEMBL543027SCHEMBL3838748N1,N1-Bis(2-chloroethyl)benzene-1,4-diamine xhydrochloride
Show more names
NSC44303NSC-44303N,N-bis(2-chloroethyl)-p-phenylenediamine hydrochloridep-Phenylenediamine,N-bis(2-chloroethyl)-, hydrochloride4-N,4-N-bis(2-chloroethyl)benzene-1,4-diamine;hydrochlorideN~1~,N~1~-Bis(2-chloroethyl)benzene-1,4-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
36134-83-5、945-68-6- PubChem CID
- 215727
- DTXSID
DTXSID30189711- ChEMBL
CHEMBL543027
Properties
Computed structural properties
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Related reactions
13 records
Compound notes
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