2-(cyclopropylmethoxy)ethan-1-amine

• ChemBase ID: 15372
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1CC1COCCN
• Canonical SMILES: NCCOCC1CC1
• InChI: InChI=1S/C6H13NO/c7-3-4-8-5-6-1-2-6/h6H,1-5,7H2
• InChIKey: KPBXIYKZOFFPJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)ethan-1-amine
• IUPAC Traditional name: 2-(cyclopropylmethoxy)ethanamine
• Synonyms: 2-(Cyclopropylmethoxy)-1-ethanamine; 2-(cyclopropylmethoxy)ethan-1-amine

Database IDs

• CAS Number: 883524-77-4
• MDL Number: MFCD06246745
• PubChem SID: 160978679
• PubChem CID: 26188592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8749669
• LogD (pH = 7.4): -1.8993211
• Log P: 0.1081429
• Molar Refractivity: 32.9043 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.301

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%