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3-Aminobiphenyl

CAT: 0572-TRC-A601808-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A601808-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2243-47-2
Synonyms
[1,1'-Biphenyl]-3-amine; 3-Biphenylamine (7CI,8CI); (1,1'-Biphenyl-3-yl)amine; 3-Amino-1,1'-biphenyl; 3-Aminobiphenyl; 3-Phenylaniline; m-Aminobiphenyl; m-Phenylaniline
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Nc1cccc(c1)c2ccccc2
Molecular Formula
C12 H11 N
Molecular Weight
169.22
InChI
InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2
Additionnal Information
IUPAC name: 3-phenylaniline
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Aminobiphenyl

3-Aminobiphenyl is an amine derivative of biphenyl. It is used to manufacture azo dyes. It is a known human carcinogen[2] and so it has been largely replaced by less toxic compounds.

CAS Number2243-47-2
PubChem CID16717
IUPAC Name3-phenylaniline
Molecular FormulaC12H11N
Molecular Weight169.22
XLogP3.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity149
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N
InChI
InChI=1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2
InChIKey
MUNOBADFTHUUFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminobiphenyl
CAS: 2243-47-2
CID: 16717
Formula: C12H11N
MW: 169.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.22
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass169.089149355
Monoisotopic Mass169.089149355
Topological Polar Surface Area26 Ų
Heavy Atom Count13
Formal Charge0
Complexity149
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

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