CAS 116473-67-7 | 1,3-Butanediamine, 3-methyl- | CAS Number 116473-67-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Amines > 116473-67-7

116473-67-7 | 1,3-Butanediamine, 3-methyl-

CAS No: 116473-67-7 Catalog No: AG000CKE MDL No:MFCD19207215

Product Description

Catalog Number:

AG000CKE

Chemical Name:

1,3-Butanediamine, 3-methyl-

CAS Number:

116473-67-7

Molecular Formula:

C5H14N2

Molecular Weight:

102.1781

MDL Number:

MFCD19207215

IUPAC Name:

3-methylbutane-1,3-diamine

InChI:

InChI=1S/C5H14N2/c1-5(2,7)3-4-6/h3-4,6-7H2,1-2H3

InChI Key:

WSDOLNVCEVYCJQ-UHFFFAOYSA-N

SMILES:

NCCC(N)(C)C

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

102.116g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

102.181g/mol

Monoisotopic Mass:

102.116g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

Title	Journal
5,5'-Bis(diethyl-amino)-2,2'-[2,2-di-methyl-propane-1,3-diylbis-(nitrilo-methylidyne)]diphenol.	Acta crystallographica. Section E, Structure reports online 20100901
Synthesis, molecular structure and spectral properties of quaternary ammonium derivatives of 1,1-dimethyl-1,3-propylenediamine.	Molecules (Basel, Switzerland) 20080215