methyl[1-(pyrazin-2-yl)propan-2-yl]amine

• ChemBase ID: 57223
• Molecular Formular: C8H13N3
• Molecular Mass: 151.20892
• Monoisotopic Mass: 151.11094743
• SMILES: c1cnc(cn1)CC(C)NC
• Canonical SMILES: CC(NC)Cc1cnccn1
• InChI: InChI=1S/C8H13N3/c1-7(9-2)5-8-6-10-3-4-11-8/h3-4,6-7,9H,5H2,1-2H3
• InChIKey: ITYOKRJDUQGDII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[1-(pyrazin-2-yl)propan-2-yl]amine
• IUPAC Traditional name: methyl[1-(pyrazin-2-yl)propan-2-yl]amine
• Synonyms: N-Methyl-1-pyrazin-2-ylpropan-2-amine; N-methyl-1-(2-pyrazinyl)-2-propanamine

Database IDs

• CAS Number: 937642-61-0
• MDL Number: MFCD08572184
• PubChem SID: 162061986
• PubChem CID: 16640583

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3658612
• LogD (pH = 7.4): -2.4284475
• Log P: -0.16869056
• Molar Refractivity: 43.5882 cm^3
• Polarizability: 17.350214 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false