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3-Aminobiphenyl

CAT: 0804-HY-W008030-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W008030-01Size:1 g
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Description
3-Aminobiphenyl is a chemical isomer of 4-ABP. 3-Aminobiphenyl can inhibit the growth of human intestinal bacteria Bifidobacterium infantis ATCC 15697, B. bifidium ATCC 11863, Clostridium perfringens ATCC 13124, Escherichia coli ATCC 25922, E. coli ATCC 35218, Enterobacter cloacae ATCC 13047 and Salmonella typhimurium TA98, TA100, YG1041. 3-Aminobiphenyl can be used as a biomarker of exposure to aromatic amines from cigarette smoke[1][2].
CAS Number
2243-47-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335, H411
Target
Bacterial
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Purity
99.91
Smiles
NC1=CC=CC(=C1)C=2C=CC=CC2
Molecular Formula
C12H11N
Molecular Weight
169.23
Precautions
H302, H315, H319, H335, H411
References & Citations
[1]Chung, K. T., & Adris, P. (2003) . Growth inhibition of intestinal bacteria and mutagenicity of 2-, 3-, 4-aminobiphenyls, benzidine, and biphenyl. Toxicology in vitro : an international journal published in association with BIBRA, 17 (2), 145-152. |[2]Sarkar, M., et al., (2006) . CYP1A2 and NAT2 phenotyping and 3-aminobiphenyl and 4-aminobiphenyl hemoglobin adduct levels in smokers and non-smokers. Toxicology and applied pharmacology, 213 (3), 198-206.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

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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