[1-(morpholin-4-ylmethyl)cyclopropyl]methanamine

• ChemBase ID: 144075
• Molecular Formular: C9H18N2O
• Molecular Mass: 170.25202
• Monoisotopic Mass: 170.14191321
• SMILES: C1CC1(CN)CN1CCOCC1
• Canonical SMILES: NCC1(CC1)CN1CCOCC1
• InChI: InChI=1S/C9H18N2O/c10-7-9(1-2-9)8-11-3-5-12-6-4-11/h1-8,10H2
• InChIKey: IVQHZQNJTYWCNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(morpholin-4-ylmethyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(morpholin-4-ylmethyl)cyclopropyl]methanamine
• Synonyms: 1-[1-(4-Morpholinylmethyl)cyclopropyl]methanamine; 1-[1-(4-morpholinylmethyl)cyclopropyl]methanamine

Database IDs

• CAS Number: 1015846-42-0
• MDL Number: MFCD09971242
• PubChem SID: 162238292
• PubChem CID: 28064634

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5183353
• LogD (pH = 7.4): -2.7078605
• Log P: -0.25740582
• Molar Refractivity: 48.8349 cm^3
• Polarizability: 19.593437 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H18N2O

DETAILS

Sigma Aldrich - CBR00016

Other Notes
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Legal Information
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