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139055-57-5 | 1,3-Benzenediamine, 4-(2-aminoethyl)-
CAS No: 139055-57-5 Catalog No: AG001A3L MDL No:
Product Description
Catalog Number:
AG001A3L
Chemical Name:
1,3-Benzenediamine, 4-(2-aminoethyl)-
CAS Number:
139055-57-5
Molecular Formula:
C8H13N3
Molecular Weight:
151.2089
IUPAC Name:
4-(2-aminoethyl)benzene-1,3-diamine
InChI:
InChI=1S/C8H13N3/c9-4-3-6-1-2-7(10)5-8(6)11/h1-2,5H,3-4,9-11H2
InChI Key:
AVKJTBFHXAKKER-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1N)N
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
151.213g/mol
Monoisotopic Mass:
151.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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