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114662-79-2 | 1,4,7-Heptanetriamine, 2,5-dimethyl-
CAS No: 114662-79-2 Catalog No: AG000EZI MDL No:
Product Description
Catalog Number:
AG000EZI
Chemical Name:
1,4,7-Heptanetriamine, 2,5-dimethyl-
CAS Number:
114662-79-2
Molecular Formula:
C9H23N3
Molecular Weight:
173.2990
IUPAC Name:
2,5-dimethylheptane-1,4,7-triamine
InChI:
InChI=1S/C9H23N3/c1-7(6-11)5-9(12)8(2)3-4-10/h7-9H,3-6,10-12H2,1-2H3
InChI Key:
NPNWQHCXLCJOIK-UHFFFAOYSA-N
SMILES:
NCCC(C(CC(CN)C)N)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.189g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
173.304g/mol
Monoisotopic Mass:
173.189g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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