3-[4-(3-Aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acid

HCID 262182

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Basic information

CAS: 51732-78-6
Standard SMILES: NCCCN1CCN(CCCN)CC1.O=C(O)c1ccc(C(=O)O)cc1
InChIKey: SEQMESIUOMRVRP-UHFFFAOYSA-N
Molecular formula: C18H30N4O4
Average molar mass: 366.5 g/mol
Monoisotopic mass: 366.22670544

Names & identifiers

Preferred name: 3-[4-(3-Aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acid
IUPAC: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;terephthalic acid

Names & synonyms

51732-78-6NSC95607Terephthalic acid compound with 3-(4-(3-aminopropyl)-1-piperazinyl)propylamine (1:1)NSC 956073-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acidDTXSID70199677NSC-95607Benzene-1,4-dicarboxylic acid--3,3'-(piperazine-1,4-diyl)di(propan-1-amine) (1/1)

Database identifiers

CAS: 51732-78-6
PubChem CID: 262182
DTXSID: DTXSID70199677

Properties

Computed structural properties

Topological polar surface area: 133 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 285

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