3-Aminobiphenyl

• Catalog Number: ACM2243472
• Product Name: 3-Aminobiphenyl
• CAS: 2243-47-2
• Category: Amines
• Synonyms: 3-Phenylaniline
• IUPAC Name: 3-phenylaniline
• Molecular Weight: 169.22
• Molecular Formula: C12H11N
• Canonical 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
• InChI Key: MUNOBADFTHUUFG-UHFFFAOYSA-N
• Boiling Point: 125/1mm
• Melting Point: 31-31,5 C
• Flash Point: 29°C
• Complexity: 149
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 169.0891
• Formal Charge: 0
• Hazard Statements: Xi,Xn,N
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• Isotope Atom Count: 0
• Monoisotopic Mass: 169.0891
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 1
• Safety Description: 26-36/37/39-36-61
• Supplemental Hazard Statements: H302-H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 26 Ų
• UNII: P632PQP3U1
• XLogP3: 3.3