3-(cyclopropylmethoxy)propan-1-amine

• ChemBase ID: 249999
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CC1COCCCN
• Canonical SMILES: NCCCOCC1CC1
• InChI: InChI=1S/C7H15NO/c8-4-1-5-9-6-7-2-3-7/h7H,1-6,8H2
• InChIKey: JEFPOPWVKGDXGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethoxy)propan-1-amine
• IUPAC Traditional name: 3-(cyclopropylmethoxy)propan-1-amine
• Synonyms: 3-(cyclopropylmethoxy)propan-1-amine

Database IDs

• CAS Number: 2986-60-9
• MDL Number: MFCD07329912
• PubChem SID: 164305909
• PubChem CID: 4962853

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8543572
• LogD (pH = 7.4): -2.3922932
• Log P: 0.16810264
• Molar Refractivity: 37.7697 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): 0.628

Product Information

• Purity: 95%