CAS 111-33-1 | N,N-Dimethyl-1,3-propanediamine | CAS Number 111-33-1

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111-33-1 | N,N-Dimethyl-1,3-propanediamine

CAS No: 111-33-1 Catalog No: AG0035BC MDL No:MFCD00008292

Product Description

Catalog Number:

AG0035BC

Chemical Name:

N,N-Dimethyl-1,3-propanediamine

CAS Number:

111-33-1

Molecular Formula:

C5H14N2

Molecular Weight:

102.1781

MDL Number:

MFCD00008292

IUPAC Name:

N,N'-dimethylpropane-1,3-diamine

InChI:

InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3

InChI Key:

UQUPIHHYKUEXQD-UHFFFAOYSA-N

SMILES:

CNCCCNC

EC Number:

203-859-1

Properties

Complexity:

25.3

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:

24.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3

Literature

Title	Journal
Endocyclic versus exocyclic mechanisms for methyl migration in protonated N,N'-dimethylpropane-1,3-diamine.	European journal of mass spectrometry (Chichester, England) 20090101
Degradable poly(amino alcohol esters) as potential DNA vectors with low cytotoxicity.	Biomacromolecules 20030101