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13910-55-9 | 1,3-Propanediamine, N1-(4-chlorophenyl)-
CAS No: 13910-55-9 Catalog No: AG001A9U MDL No:
Product Description
Catalog Number:
AG001A9U
Chemical Name:
1,3-Propanediamine, N1-(4-chlorophenyl)-
CAS Number:
13910-55-9
Molecular Formula:
C9H13ClN2
Molecular Weight:
184.6659
IUPAC Name:
N'-(4-chlorophenyl)propane-1,3-diamine
InChI:
InChI=1S/C9H13ClN2/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5,12H,1,6-7,11H2
InChI Key:
PVVUJBFAVBHQTC-UHFFFAOYSA-N
SMILES:
NCCCNc1ccc(cc1)Cl
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.667g/mol
Monoisotopic Mass:
184.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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