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

HCID 32121

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Basic information

CAS: 23892-41-3
Standard SMILES: CCC[NH2+]CC[NH+](C)C(c1ccccc1)c1ccc(Cl)cc1.O=C([O-])C(=O)[O-]
InChIKey: LPMUBVZAGLZGTN-UHFFFAOYSA-N
Molecular formula: C21H27ClN2O4
Average molar mass: 406.9 g/mol
Monoisotopic mass: 406.165935

Names & identifiers

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

Names & synonyms

N-(alpha-(p-Chlorophenyl)benzyl)-N-methyl-N'-propylethylenediamine oxalate23892-41-3ETHYLENEDIAMINE, N-(alpha-(p-CHLOROPHENYL)BENZYL)-N-METHYL-N'-PROPYL-, OXALATERefChem:345275

Database identifiers

CAS: 23892-41-3
PubChem CID: 32121

Properties

Computed structural properties

Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 344

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