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4-Aminoazobenzene

CAT: 0926-AAA06009Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-AAA06009Size:5 g
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CAS Number
60-09-3
MDL Number
MFCD00007854
Smiles
C1=CC=C (C=C1) N=NC2=CC=C (C=C2) N
Molecular Formula
C6H5N=NC6H4NH2
Molecular Weight
197.24 g/mol
Controlled
No

Chemical Information

4-Aminoazobenzene

p-Aminoazobenzene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).

CAS Number60-09-3
PubChem CID6051
IUPAC Name4-phenyldiazenylaniline
Molecular FormulaC12H11N3
Molecular Weight197.24
XLogP3.4
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity201
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N
InChI
InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2
InChIKey
QPQKUYVSJWQSDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminoazobenzene
CAS: 60-09-3
CID: 6051
Formula: C12H11N3
MW: 197.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight197.24
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass197.095297364
Monoisotopic Mass197.095297364
Topological Polar Surface Area50.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes