[1-(methoxymethyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 144328
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: COCC1(CC1)CN.Cl
• Canonical SMILES: NCC1(CC1)COC.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-5-6(4-7)2-3-6;/h2-5,7H2,1H3;1H
• InChIKey: OBLZUFIAJHPUBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methoxymethyl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(methoxymethyl)cyclopropyl]methanamine hydrochloride
• Synonyms: 1-[1-(Methoxymethyl)cyclopropyl]methanamine monohydrochloride

Database IDs

• MDL Number: MFCD09864489
• PubChem SID: 162238543
• PubChem CID: 53398976

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.116581
• LogD (pH = 7.4): -2.4445384
• Log P: -0.104525395
• Molar Refractivity: 32.7848 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H14ClNO

DETAILS

Sigma Aldrich - CBR01061

Other Notes
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Legal Information
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