3-Aminobiphenyl

• CAS: 2243-47-2
• Catalog Number: ACM2243472
• Category: Amines
• Molecular Weight: 169.22
• Molecular Formula: C12H11N
• Synonyms: 3-Phenylaniline
• IUPAC Name: 3-phenylaniline
• 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
• XLogP3-AA: 3.3

Custom Q&A

What is the molecular formula of 3-aminobiphenyl?

The molecular formula of 3-aminobiphenyl is C12H11N.

What is the molecular weight of 3-aminobiphenyl?

The molecular weight of 3-aminobiphenyl is 169.22 g/mol.

What is the IUPAC Name of 3-aminobiphenyl?

The IUPAC Name of 3-aminobiphenyl is 3-phenylaniline.

What is the InChIKey of 3-aminobiphenyl?

The InChIKey of 3-aminobiphenyl is MUNOBADFTHUUFG-UHFFFAOYSA-N.

What is the Canonical SMILES of 3-aminobiphenyl?

The Canonical SMILES of 3-aminobiphenyl is C1=CC=C(C=C1)C2=CC(=CC=C2)N.

What is the CAS number of 3-aminobiphenyl?

The CAS number of 3-aminobiphenyl is 2243-47-2.

What is the XLogP3 value of 3-aminobiphenyl?

The XLogP3 value of 3-aminobiphenyl is 3.3.

How many hydrogen bond donor counts are there in 3-aminobiphenyl?

There is 1 hydrogen bond donor count in 3-aminobiphenyl.

What is the topological polar surface area of 3-aminobiphenyl?

The topological polar surface area of 3-aminobiphenyl is 26Ų.

Is 3-aminobiphenyl a known human carcinogen?

Yes, 3-aminobiphenyl is a known human carcinogen and has been largely replaced by less toxic compounds.