3-Aminobiphenyl - 1000ug/ml in Ethyl Acetate , CAS No.2243-47-2

CAS: 2243-47-2 Cat. No.: A141209 Molecular Weight: 169.22 Beilstein Registry Number: 12(3)3146 EC Number: 675-679-5

GRADE & PURITY 1000ug/ml in Ethyl Acetate

Synonyms

(1,1'-BIPHENYL)AMINE | 3-phenyl aniline | B0987 | FT-0630114 | 3-AMINO-1,1'-BIPHENYL | BRN 2206824 | 3-BIPHENYLAMINE | FT-0661611 | 3-Phenylaniline | AKOS002678495 | 3-Aminobiphenyl, 97% | m-Aminobiphenyl | 3-Aminobiphenyl | 3-amino-biphenyl | P632PQP3U1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(1, 1'-BIPHENYL)AMINE | 3-phenyl aniline | B0987 | FT-0630114 | 3-AMINO-1, 1'-BIPHENYL | BRN 2206824 | 3-BIPHENYLAMINE | FT-0661611 | 3-Phenylaniline | AKOS002678495 | 3-Aminobiphenyl, 97% | m-Aminobiphenyl | 3-Aminobiphenyl | 3-amino-biphenyl | P632PQP3U1

Specifications & Purity

1000ug/ml in Ethyl Acetate

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CC(=CC=C2)N
• IUPAC Name: 3-phenylaniline
• InChIKey: MUNOBADFTHUUFG-UHFFFAOYSA-N
• INCHI: 1S/C12H11N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H,13H2
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)N
• WGK Germany: 3
• RTECS: DU8900000
• Molecular Weight: 169.22
• Beilstein: 12(3)3146
• Reaxy-Rn: 2206824
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2206824&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HT-29 (80576 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 254°C/135mmHg
• Melt Point(°C): 28-33°C
• Molecular Weight: 169.220 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 169.089 Da
• Monoisotopic Mass: 169.089 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Hong Li, Xiaoqian Lan, Feng Bao, Shuanger Li, Haoran Zhu, Zijuan Zhu, Yadong Li, Mingliang Wang, Caizhen Zhu, Jian Xu.  (2024)  Preparation of triphenylamine polyimides with low dielectric constants with different side group sizes based on β-relaxation theory.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.112969]

2. Haixia Jin, Yong Wang, Junning Liu, Qun Gao, Jing Ji, Geyu Liang, Xiaoxia Gu, Kai Luo.  (2025)  Quantification of amino-PAHs in human urine using UHPLC- hybrid quadrupole orbitrap high resolution MS (Q-orbitrap-HRMS): Assessing potential carcinogenic risks of Nitro-PAHs.  ENVIRONMENTAL POLLUTION,      [PMID:40744368] [10.1016/j.envpol.2025.126910]