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114389-55-8 | 1,3-Benzenediamine, N1,N3-bis(4-aminophenyl)-
CAS No: 114389-55-8 Catalog No: AG000B7P MDL No:
Product Description
Catalog Number:
AG000B7P
Chemical Name:
1,3-Benzenediamine, N1,N3-bis(4-aminophenyl)-
CAS Number:
114389-55-8
Molecular Formula:
C18H18N4
Molecular Weight:
290.3623
IUPAC Name:
1-N,3-N-bis(4-aminophenyl)benzene-1,3-diamine
InChI:
InChI=1S/C18H18N4/c19-13-4-8-15(9-5-13)21-17-2-1-3-18(12-17)22-16-10-6-14(20)7-11-16/h1-12,21-22H,19-20H2
InChI Key:
FEMUEMOOCAVHCS-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Nc1cccc(c1)Nc1ccc(cc1)N
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.153g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
290.37g/mol
Monoisotopic Mass:
290.153g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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