methyl[2-(pyrazin-2-yl)ethyl]amine

• ChemBase ID: 246317
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c(CCNC)cncc1
• Canonical SMILES: CNCCc1cnccn1
• InChI: InChI=1S/C7H11N3/c1-8-3-2-7-6-9-4-5-10-7/h4-6,8H,2-3H2,1H3
• InChIKey: YXKAZTGAMLBBMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(pyrazin-2-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(pyrazin-2-yl)ethyl]amine
• Synonyms: methyl[2-(pyrazin-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD19622782
• PubChem SID: 164302227
• PubChem CID: 57825667

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.773089
• LogD (pH = 7.4): -2.7667632
• Log P: -0.5852656
• Molar Refractivity: 39.1694 cm^3
• Polarizability: 15.507022 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.875

Product Information

• Purity: 95%