6-chloro-N,N-dimethylpyrazin-2-amine

• ChemBase ID: 48397
• Molecular Formular: C6H8ClN3
• Molecular Mass: 157.60082
• Monoisotopic Mass: 157.04067495
• SMILES: n1c(N(C)C)cncc1Cl
• Canonical SMILES: CN(c1cncc(n1)Cl)C
• InChI: InChI=1S/C6H8ClN3/c1-10(2)6-4-8-3-5(7)9-6/h3-4H,1-2H3
• InChIKey: IEITVVMHFLZNPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethylpyrazin-2-amine
• IUPAC Traditional name: 6-chloro-N,N-dimethylpyrazin-2-amine
• Synonyms: N-(6-Chloro-2-pyrazinyl)-N,N-dimethylamine; 6-chloro-N,N-dimethylpyrazin-2-amine; 6-chloro-N,N-dimethyl-2-pyrazinamine

Database IDs

• CAS Number: 61655-72-9
• MDL Number: MFCD12024889
• PubChem SID: 162053160
• PubChem CID: 23273443

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0646218
• LogD (pH = 7.4): 1.0646242
• Log P: 1.0646242
• Molar Refractivity: 42.3524 cm^3
• Polarizability: 15.340877 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): 1.34

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%