1-methyl-1H-pyrazol-3-amine

• ChemBase ID: 19126
• Molecular Formular: C4H7N3
• Molecular Mass: 97.11848
• Monoisotopic Mass: 97.06399724
• SMILES: n1c(ccn1C)N
• Canonical SMILES: Cn1ccc(n1)N
• InChI: InChI=1S/C4H7N3/c1-7-3-2-4(5)6-7/h2-3H,1H3,(H2,5,6)
• InChIKey: MOGQNVSKBCVIPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-pyrazol-3-amine
• IUPAC Traditional name: 1-methylpyrazol-3-amine
• Synonyms: 1-methyl-1H-pyrazol-3-amine; 1-Methyl-1H-pyrazol-3-ylamine; 1-Methyl-1H-pyrazol-3-amine; 3-Amino-1-methyl-1H-pyrazole; 3-Amino-1-methyl-1H-pyrazole; 3-氨基-1-甲基-1H-吡唑

Database IDs

• CAS Number: 1904-31-0; 1192-21-8
• MDL Number: MFCD00466340
• PubChem SID: 160982433
• PubChem CID: 137254

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15947428
• LogD (pH = 7.4): 0.16654654
• Log P: 0.16663745
• Molar Refractivity: 39.9753 cm^3
• Polarizability: 10.034958 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Boiling Point: 90-92°C/1mm
• Hydrophobicity(logP): -0.493

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H302
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 95%; 97%; 98%