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N-Hydroxy-4-aminobiphenyl

CAT: 0926-FH24254-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FH24254-01Size:2 mg
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CAS Number
6810-26-0
Synonyms
N-Biphenyl-4-yl-hydroxylamine
MDL Number
MFCD00869550
Smiles
C1=CC=C (C=C1) C2=CC=C (C=C2) NO
Molecular Formula
C12H11NO
Molecular Weight
185.22 g/mol
Controlled
No

Chemical Information

N-hydroxy-4-aminobiphenyl

N-hydroxy-4-aminobiphenyl is a N-substituted amine that is 4-aminobiphenyl substituted by a hydroxy group at the nitrogen atom. It has a role as a carcinogenic agent and a human xenobiotic metabolite. It is an aminobiphenyl and a N-substituted amine. It is functionally related to a biphenyl-4-amine.

CAS Number6810-26-0
PubChem CID81261
IUPAC NameN-(4-phenylphenyl)hydroxylamine
Molecular FormulaC12H11NO
Molecular Weight185.22
XLogP3.5
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity158
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NO
InChI
InChI=1S/C12H11NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H
InChIKey
MYVLYOJYVMLSFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-hydroxy-4-aminobiphenyl
CAS: 6810-26-0
CID: 81261
Formula: C12H11NO
MW: 185.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.22
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass185.084063974
Monoisotopic Mass185.084063974
Topological Polar Surface Area32.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
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