methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amine

• ChemBase ID: 31292
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: n1(c(ccn1)CNC)C
• Canonical SMILES: CNCc1ccnn1C
• InChI: InChI=1S/C6H11N3/c1-7-5-6-3-4-8-9(6)2/h3-4,7H,5H2,1-2H3
• InChIKey: CHGIPIYKGPNYKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-pyrazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methylpyrazol-3-yl)methyl]amine
• Synonyms: N-methyl-(1-methyl-1H-pyrazol-5-yl)methylamine; N-Methyl-(1-methyl-1H-pyrazol-5-yl)methylamine; 1-Methyl-5-[(methylamino)methyl]-1H-pyrazole 97%; Methyl-(2-methyl-2H-pyrazol-3-ylmethyl)-amine

Database IDs

• CAS Number: 930111-04-9
• MDL Number: MFCD03419812
• PubChem SID: 160994599
• PubChem CID: 7019426

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0112674
• LogD (pH = 7.4): -1.3862457
• Log P: -0.12054417
• Molar Refractivity: 48.0869 cm^3
• Polarizability: 14.100752 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 102°C/15mm

Safety Information

• Storage Warning: Corrosive/Toxic; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%