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13658-97-4 | 1,6-Hexanediamine, N1-phenyl-
CAS No: 13658-97-4 Catalog No: AG001242 MDL No:
Product Description
Catalog Number:
AG001242
Chemical Name:
1,6-Hexanediamine, N1-phenyl-
CAS Number:
13658-97-4
Molecular Formula:
C12H20N2
Molecular Weight:
192.3006
IUPAC Name:
N'-phenylhexane-1,6-diamine
InChI:
InChI=1S/C12H20N2/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9,14H,1-2,6-7,10-11,13H2
InChI Key:
RSQJKMXQGVFYOR-UHFFFAOYSA-N
SMILES:
NCCCCCCNc1ccccc1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.163g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.306g/mol
Monoisotopic Mass:
192.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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