N-benzylpyridin-2-amine

• ChemBase ID: 120356
• Molecular Formular: C12H12N2
• Molecular Mass: 184.23708
• Monoisotopic Mass: 184.10004839
• SMILES: c1(ncccc1)NCc1ccccc1
• Canonical SMILES: c1ccc(cc1)CNc1ccccn1
• InChI: InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
• InChIKey: WYHXNQXDQQMTQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylpyridin-2-amine
• IUPAC Traditional name: N-benzylpyridin-2-amine
• Synonyms: N-benzylpyridin-2-amine; N-Benzyl-2-pyridylamine; N-(2-Pyridyl)benzylamine; 2-Benzylaminopyridine; 2-苯甲基氨基吡啶; 2-苄氨基吡啶

Database IDs

• CAS Number: 6935-27-9
• EC Number: 230-060-5
• MDL Number: MFCD00006251
• Beilstein Number: 134309
• PubChem SID: 162214709; 24851670
• PubChem CID: 23362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5666002
• LogD (pH = 7.4): 2.4864783
• Log P: 2.5472822
• Molar Refractivity: 59.021 cm^3
• Polarizability: 22.037956 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93-97°C; 95-97 °C(lit.)
• Boiling Point: 116-131 °C/0.6 mmHg(lit.); 182°C/12mm
• Flash Point: 153°C(307°F)

Safety Information

• RTECS: US2700000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 22-37/38-41
• Safety Statements: 26-36/37; 26-39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H12N2

DETAILS

Sigma Aldrich - 195057

Packaging
50 g in poly bottle