Ethylenediamine, N-(alpha-(p-chlorophenyl)benzyl)-N',N'-dibenzyl-, oxalate

HCID 32147

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Basic information

CAS: 23921-06-4
Standard SMILES: Clc1ccc(C([NH2+]CC[NH+](Cc2ccccc2)Cc2ccccc2)c2ccccc2)cc1.O=C([O-])C(=O)[O-]
InChIKey: SIEIKLAFYOWDSY-UHFFFAOYSA-N
Molecular formula: C31H31ClN2O4
Average molar mass: 531 g/mol
Monoisotopic mass: 530.1972352

Names & identifiers

Preferred name: Ethylenediamine, N-(alpha-(p-chlorophenyl)benzyl)-N',N'-dibenzyl-, oxalate
IUPAC: dibenzyl-[2-[[(4-chlorophenyl)-phenylmethyl]azaniumyl]ethyl]azanium;oxalate

Names & synonyms

N-(alpha-(p-Chlorophenyl)benzyl)-N',N'-dibenzylethylenediamine oxalate23921-06-4ETHYLENEDIAMINE, N-(alpha-(p-CHLOROPHENYL)BENZYL)-N',N'-DIBENZYL-, OXALATERefChem:345266

Database identifiers

CAS: 23921-06-4
PubChem CID: 32147

Properties

Computed structural properties

Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 38
Formal charge: 0
Complexity: 526

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