CAS 128396-62-3 | 1,3-Propanediamine, N1-(3-aminopropyl)-N1-(2-pyridinylmethyl)- | CAS Number 128396-62-3

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128396-62-3 | 1,3-Propanediamine, N1-(3-aminopropyl)-N1-(2-pyridinylmethyl)-

CAS No: 128396-62-3 Catalog No: AG000Y29 MDL No:

Product Description

Catalog Number:

AG000Y29

Chemical Name:

1,3-Propanediamine, N1-(3-aminopropyl)-N1-(2-pyridinylmethyl)-

CAS Number:

128396-62-3

Molecular Formula:

C12H22N4

Molecular Weight:

222.3299

IUPAC Name:

N'-(3-aminopropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine

InChI:

InChI=1S/C12H22N4/c13-6-3-9-16(10-4-7-14)11-12-5-1-2-8-15-12/h1-2,5,8H,3-4,6-7,9-11,13-14H2

InChI Key:

CRYLQWUHXPSDHQ-UHFFFAOYSA-N

SMILES:

NCCCN(Cc1ccccn1)CCCN

Properties

Complexity:

155

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.336g/mol

Monoisotopic Mass:

222.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.4

Literature

Title	Journal
Spin crossover phenomenon accompanying order-disorder phase transition in the ligand of [FeII(DAPP)(abpt)](ClO4)2 compound (DAPP = bis(3-aminopropyl)(2-pyridylmethyl)amine, abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) and its successive self-grinding effect.	The journal of physical chemistry. B 20071101
Cooperative spin crossover and order-disorder phenomena in a mononuclear compound [Fe(DAPP)(abpt)](ClO(4))(2) [DAPP = [bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole].	Inorganic chemistry 20040112