dimethyl(pyrrolidin-3-ylmethyl)amine hydrochloride

• ChemBase ID: 248898
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: N1CC(CN(C)C)CC1.Cl
• Canonical SMILES: CN(CC1CNCC1)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-9(2)6-7-3-4-8-5-7;/h7-8H,3-6H2,1-2H3;1H
• InChIKey: WROMYUDNGCXCSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(pyrrolidin-3-ylmethyl)amine hydrochloride
• IUPAC Traditional name: dimethyl(pyrrolidin-3-ylmethyl)amine hydrochloride
• Synonyms: dimethyl(pyrrolidin-3-ylmethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22121387
• PubChem SID: 164304808
• PubChem CID: 53346556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.03008
• LogD (pH = 7.4): -4.1830363
• Log P: -0.10848353
• Molar Refractivity: 40.2627 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.31

Product Information

• Purity: 95%