6-chloro-N,N-dipropylpyrazin-2-amine

• ChemBase ID: 48415
• Molecular Formular: C10H16ClN3
• Molecular Mass: 213.70714
• Monoisotopic Mass: 213.10327521
• SMILES: n1c(N(CCC)CCC)cncc1Cl
• Canonical SMILES: CCCN(c1cncc(n1)Cl)CCC
• InChI: InChI=1S/C10H16ClN3/c1-3-5-14(6-4-2)10-8-12-7-9(11)13-10/h7-8H,3-6H2,1-2H3
• InChIKey: HMNZCTNOQCOMKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dipropylpyrazin-2-amine
• IUPAC Traditional name: 6-chloro-N,N-dipropylpyrazin-2-amine
• Synonyms: N-(6-Chloro-2-pyrazinyl)-N,N-dipropylamine; 6-Chloro-N,N-dipropylpyrazin-2-amine; 2-Chloro-6-(dipropylamino)pyrazine

Database IDs

• CAS Number: 957065-91-7
• MDL Number: MFCD09878390
• PubChem SID: 162053178
• PubChem CID: 26967001

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8232827
• LogD (pH = 7.4): 2.8232849
• Log P: 2.8232849
• Molar Refractivity: 60.8976 cm^3
• Polarizability: 22.675896 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false