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115581-67-4 | 1,2-Benzenediamine, N1-[3-(1-piperidinyl)propyl]-
CAS No: 115581-67-4 Catalog No: AG000G7E MDL No:
Product Description
Catalog Number:
AG000G7E
Chemical Name:
1,2-Benzenediamine, N1-[3-(1-piperidinyl)propyl]-
CAS Number:
115581-67-4
Molecular Formula:
C14H23N3
Molecular Weight:
233.3525
IUPAC Name:
2-N-(3-piperidin-1-ylpropyl)benzene-1,2-diamine
InChI:
InChI=1S/C14H23N3/c15-13-7-2-3-8-14(13)16-9-6-12-17-10-4-1-5-11-17/h2-3,7-8,16H,1,4-6,9-12,15H2
InChI Key:
IWMNXRQYGIBEDW-UHFFFAOYSA-N
SMILES:
Nc1ccccc1NCCCN1CCCCC1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.189g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.359g/mol
Monoisotopic Mass:
233.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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