methyl[2-(prop-2-yn-1-yloxy)ethyl]amine hydrochloride

• ChemBase ID: 238812
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: C(#C)COCCNC.Cl
• Canonical SMILES: CNCCOCC#C.Cl
• InChI: InChI=1S/C6H11NO.ClH/c1-3-5-8-6-4-7-2;/h1,7H,4-6H2,2H3;1H
• InChIKey: PHROTOMTSCZAKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(prop-2-yn-1-yloxy)ethyl]amine hydrochloride
• IUPAC Traditional name: methyl[2-(prop-2-yn-1-yloxy)ethyl]amine hydrochloride
• Synonyms: methyl[2-(prop-2-yn-1-yloxy)ethyl]amine hydrochloride

Database IDs

• MDL Number: MFCD22378639
• PubChem SID: 164294722
• PubChem CID: 71756239

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2067091
• LogD (pH = 7.4): -2.2516627
• Log P: -0.011770934
• Molar Refractivity: 33.3171 cm^3
• Polarizability: 12.901154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.232

Product Information

• Purity: 95%