trimethyl-1H-pyrazol-4-amine

• ChemBase ID: 91928
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1c(c(c(n1C)C)N)C
• Canonical SMILES: Cc1nn(c(c1N)C)C
• InChI: InChI=1S/C6H11N3/c1-4-6(7)5(2)9(3)8-4/h7H2,1-3H3
• InChIKey: SSDGMKHZMNTWLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl-1H-pyrazol-4-amine
• IUPAC Traditional name: trimethylpyrazol-4-amine
• Synonyms: 4-Amino-1,3,5-trimethyl-1H-pyrazole; 1,3,5-trimethyl-1H-pyrazol-4-amine; 1,3,5-Trimethyl-1H-pyrazol-4-amine; 4-Amino-1,3,5-trimethyl-1H-pyrazole; 4-氨基-1,3,5-三甲基-1H-吡唑

Database IDs

• CAS Number: 28466-21-9
• EC Number: 000-000-0
• MDL Number: MFCD00052883
• Beilstein Number: 110739
• PubChem SID: 162078626
• PubChem CID: 161603

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.09796831
• LogD (pH = 7.4): -0.0969022
• Log P: -0.09688859
• Molar Refractivity: 49.403 cm^3
• Polarizability: 13.559346 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 130°C; 99-105°C
• Hydrophobicity(logP): -0.09

Safety Information

• Storage Warning: Irritant
• RTECS: UQ6125100
• TSCA Listed: 否

Product Information

• Purity: 95%; 97%