[2-(cyclopropylmethoxy)ethyl](methyl)amine

• ChemBase ID: 15375
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1CC1COCCNC
• Canonical SMILES: CNCCOCC1CC1
• InChI: InChI=1S/C7H15NO/c1-8-4-5-9-6-7-2-3-7/h7-8H,2-6H2,1H3
• InChIKey: WQOCFOHQTOIOHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(cyclopropylmethoxy)ethyl](methyl)amine
• IUPAC Traditional name: [2-(cyclopropylmethoxy)ethyl](methyl)amine
• Synonyms: 2-(Cyclopropylmethoxy)-N-methyl-1-ethanamine; [2-(cyclopropylmethoxy)ethyl](methyl)amine

Database IDs

• CAS Number: 883526-98-5
• MDL Number: MFCD06246780
• PubChem SID: 160978682
• PubChem CID: 26188594

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.654423
• LogD (pH = 7.4): -1.7009864
• Log P: 0.54072326
• Molar Refractivity: 37.6789 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.605

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%