[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine dihydrochloride

• ChemBase ID: 144327
• Molecular Formular: C8H15Cl2N3
• Molecular Mass: 224.1308
• Monoisotopic Mass: 223.06430286
• SMILES: c1cnn(c1)CC1(CC1)CN.Cl.Cl
• Canonical SMILES: NCC1(CC1)Cn1cccn1.Cl.Cl
• InChI: InChI=1S/C8H13N3.2ClH/c9-6-8(2-3-8)7-11-5-1-4-10-11;;/h1,4-5H,2-3,6-7,9H2;2*1H
• InChIKey: JBHAISCTHAMDLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1H-pyrazol-1-ylmethyl)cyclopropyl]methanamine dihydrochloride
• IUPAC Traditional name: [1-(pyrazol-1-ylmethyl)cyclopropyl]methanamine dihydrochloride
• Synonyms: 1-[1-(1H-Pyrazol-1-ylmethyl)cyclopropyl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD09864492
• PubChem SID: 162238542
• PubChem CID: 47000797

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8468492
• LogD (pH = 7.4): -2.296924
• Log P: 0.17203104
• Molar Refractivity: 54.7337 cm^3
• Polarizability: 17.05889 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H15Cl2N3

DETAILS

Sigma Aldrich - CBR00968

Other Notes
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