Tris(3-aminopropyl)amine

AlkaPlorer ID: AK098886

Synonym: N,N-Bis(3-aminopropyl)-1,3-propanediamine, 3,3',3''-Triaminotripropylamine, N4-(3-Aminopropyl)norspermidine, Mitsubishine, Trpn 

IUPAC Name: N',N'-bis(3-aminopropyl)propane-1,3-diamine

Structure

SMILES: NCCCN(CCCN)CCCN

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InChI: InChI=1S/C9H24N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-12H2

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InChIKey: QMXSDTGNCZVWTB-UHFFFAOYSA-N

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Reference

PubChem CID: 547030

CAS: 4605-14-5

COCONUT: CNP0339816

Properties Information

Molecule Weight: 188.319

TPSA: 81.3

MolLogP: -0.6651999999999973

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014485 C[S+](CCCN)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCN(CCCN)CCCN>>NCCCNCCCN(CCCN)CCCN enzymemap_39805