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113800-97-8 | 1,3-Propanediamine, N1,N1-didodecyl-N3,N3-dimethyl-
CAS No: 113800-97-8 Catalog No: AG0009Q1 MDL No:
Product Description
Catalog Number:
AG0009Q1
Chemical Name:
1,3-Propanediamine, N1,N1-didodecyl-N3,N3-dimethyl-
CAS Number:
113800-97-8
Molecular Formula:
C29H62N2
Molecular Weight:
438.8160
IUPAC Name:
N',N'-didodecyl-N,N-dimethylpropane-1,3-diamine
InChI:
InChI=1S/C29H62N2/c1-5-7-9-11-13-15-17-19-21-23-27-31(29-25-26-30(3)4)28-24-22-20-18-16-14-12-10-8-6-2/h5-29H2,1-4H3
InChI Key:
UNAGNUXTRVECSN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN(CCCN(C)C)CCCCCCCCCCCC
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.491g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.829g/mol
Monoisotopic Mass:
438.491g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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