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71411-90-0 | 1,4-Benzenediamine,N1-[(4-aminophenyl)methyl]-
CAS No: 71411-90-0 Catalog No: AG005IYP MDL No:
Product Description
Catalog Number:
AG005IYP
Chemical Name:
1,4-Benzenediamine,N1-[(4-aminophenyl)methyl]-
CAS Number:
71411-90-0
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
IUPAC Name:
4-N-[(4-aminophenyl)methyl]benzene-1,4-diamine
InChI:
InChI=1S/C13H15N3/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8,16H,9,14-15H2
InChI Key:
ZQMZIOUGOZDCNR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)NCc1ccc(cc1)N
EC Number:
275-396-3
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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