1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride

• ChemBase ID: 24034
• Molecular Formular: C9H15ClN2
• Molecular Mass: 186.6818
• Monoisotopic Mass: 186.09237617
• SMILES: c12n(ccc1)CCNC2CC.Cl
• Canonical SMILES: CCC1NCCn2c1ccc2.Cl
• InChI: InChI=1S/C9H14N2.ClH/c1-2-8-9-4-3-6-11(9)7-5-10-8;/h3-4,6,8,10H,2,5,7H2,1H3;1H
• InChIKey: ZDICMKBDJFJAHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride
• IUPAC Traditional name: 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride
• Synonyms: 1-Ethyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine hydrochloride; 1-ethyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine hydrochloride; 1-Ethyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine hydrochloride

Database IDs

• MDL Number: MFCD07781050
• PubChem SID: 160987341
• PubChem CID: 46735942

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2881336
• LogD (pH = 7.4): 0.38232553
• Log P: 1.5227284
• Molar Refractivity: 45.8128 cm^3
• Polarizability: 17.96882 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.495

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C9H15ClN2

DETAILS

Sigma Aldrich - CBR00757

Other Notes
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Legal Information
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