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17828-45-4 | [1,1'-Biphenyl]-3,4,4'-triamine
CAS No: 17828-45-4 Catalog No: AG0025WN MDL No:MFCD20712164
Product Description
Catalog Number:
AG0025WN
Chemical Name:
[1,1'-Biphenyl]-3,4,4'-triamine
CAS Number:
17828-45-4
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD20712164
IUPAC Name:
4-(4-aminophenyl)benzene-1,2-diamine
InChI:
InChI=1S/C12H13N3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H,13-15H2
InChI Key:
RVYIVHUVZXDTGN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1ccc(c(c1)N)N
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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