CAS 13880-36-9 | 1,2-Hexadecanediamine | CAS Number 13880-36-9

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13880-36-9 | 1,2-Hexadecanediamine

CAS No: 13880-36-9 Catalog No: AG0019L7 MDL No:

Product Description

Catalog Number:

AG0019L7

Chemical Name:

1,2-Hexadecanediamine

CAS Number:

13880-36-9

Molecular Formula:

C16H36N2

Molecular Weight:

256.4704

IUPAC Name:

hexadecane-1,2-diamine

InChI:

InChI=1S/C16H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16H,2-15,17-18H2,1H3

InChI Key:

PWJWNZBLKWYLPP-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCC(CN)N

Properties

Complexity:

148

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.288g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.478g/mol

Monoisotopic Mass:

256.288g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Simple dihydrosphyngosine analogues with potent activity against MDR-Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20091001
Long-chain aminoalcohol and diamine derivatives induce apoptosis through a caspase-3 dependent pathway.	Bioorganic & medicinal chemistry letters 20020916
Leishmanicidal activity of some aliphatic diamines and amino-alcohols.	Bioorganic & medicinal chemistry letters 20020225