6-amino-2-methylpyridine-3-carbonitrile

• ChemBase ID: 18791
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n1c(c(C#N)ccc1N)C
• Canonical SMILES: Cc1nc(N)ccc1C#N
• InChI: InChI=1S/C7H7N3/c1-5-6(4-8)2-3-7(9)10-5/h2-3H,1H3,(H2,9,10)
• InChIKey: OZAIJUZOQOBQDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 6-amino-2-methylpyridine-3-carbonitrile
• Synonyms: 6-Amino-2-methylpyridine-3-carbonitrile; 6-Amino-3-cyano-2-methylpyridine; 6-Amino-2-methylnicotinonitrile; 6-Amino-2-methylnicotinonitrile; 6-Amino-3-cyano-2-methylpyridine 97%; 6-Amino-2-methylpyridine-3-carbonitrile; 6-氨基-3-氰基-2-甲基吡啶; 2-甲基-3-氰基-6-氨基吡啶; 6-氨基-2-甲基烟酰腈

Database IDs

• CAS Number: 183428-90-2
• MDL Number: MFCD05865116
• PubChem SID: 160982098; 24885814
• PubChem CID: 2794662

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4978437
• LogD (pH = 7.4): 0.5084346
• Log P: 0.5085713
• Molar Refractivity: 39.2281 cm^3
• Polarizability: 14.165929 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155-156°C; 162-166 °C; 164-166°C; 168-170°C

Safety Information

• Storage Warning: Irritant; IRRITANT, TOXIC BY INHALATION
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN3439
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 22-37/38-41
• Safety Statements: 26-39; 9-26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H331-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C7H7N3

DETAILS

Sigma Aldrich - 684627

Packaging
1 g in glass bottle