Hexanedioic acid, compd. with 3,3'-[1,2-ethanediylbis(oxy)]bis[1-propanamine] (1:1)

HCID 89017

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Basic information

CAS: 21697-94-9
Standard SMILES: NCCCOCCOCCCN.O=C(O)CCCCC(=O)O
InChIKey: GXYRPXAYFVYAAT-UHFFFAOYSA-N
Molecular formula: C14H30N2O6
Average molar mass: 322.4 g/mol
Monoisotopic mass: 322.21038668

Names & identifiers

Preferred name: Hexanedioic acid, compd. with 3,3'-[1,2-ethanediylbis(oxy)]bis[1-propanamine] (1:1)
IUPAC: 3-[2-(3-aminopropoxy)ethoxy]propan-1-amine;hexanedioic acid

Names & synonyms

21697-94-9DTXSID20667253,3'-(Ethylenedioxy)bispropylammonium adipate3,3'-(Ethylenedioxy)bis(propylammonium) adipateRefChem:146135DTXCID2036536Hexanedioic acid--3,3'-[ethane-1,2-diylbis(oxy)]di(propan-1-amine) (1/1)

Database identifiers

CAS: 21697-94-9
PubChem CID: 89017
DTXSID: DTXSID2066725

Properties

Computed structural properties

Topological polar surface area: 145 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 22
Formal charge: 0
Complexity: 185

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexanedioic acid, compd. with 3,3'-[1,2-ethanediylbis(oxy)]bis[1-propanamine] (1:1): INACTIVE

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