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114254-48-7 | 1,4-Benzenediamine, N1,N1-bis(4-aminophenyl)-, hydrochloride (1:3)
CAS No: 114254-48-7 Catalog No: AG000AXM MDL No:MFCD22125332
Product Description
Catalog Number:
AG000AXM
Chemical Name:
1,4-Benzenediamine, N1,N1-bis(4-aminophenyl)-, hydrochloride (1:3)
CAS Number:
114254-48-7
Molecular Formula:
C18H21Cl3N4
Molecular Weight:
399.7451
MDL Number:
MFCD22125332
IUPAC Name:
4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine;trihydrochloride
InChI:
InChI=1S/C18H18N4.3ClH/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;/h1-12H,19-21H2;3*1H
InChI Key:
JGRCHKHVKZFINA-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)N(c1ccc(cc1)N)c1ccc(cc1)N.Cl.Cl.Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.083g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
399.744g/mol
Monoisotopic Mass:
398.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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