dimethyl(pyrrolidin-2-ylmethyl)amine dihydrochloride

• ChemBase ID: 48205
• Molecular Formular: C7H18Cl2N2
• Molecular Mass: 201.13722
• Monoisotopic Mass: 200.08470395
• SMILES: N1C(CN(C)C)CCC1.Cl.Cl
• Canonical SMILES: CN(CC1CCCN1)C.Cl.Cl
• InChI: InChI=1S/C7H16N2.2ClH/c1-9(2)6-7-4-3-5-8-7;;/h7-8H,3-6H2,1-2H3;2*1H
• InChIKey: WYOMVPNXWDCQRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(pyrrolidin-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: dimethyl(pyrrolidin-2-ylmethyl)amine dihydrochloride
• Synonyms: N,N-Dimethyl(2-pyrrolidinyl)methanamine dihydrochloride; dimethyl(pyrrolidin-2-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD13561745
• PubChem SID: 162052968
• PubChem CID: 50988356

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.2260246
• LogD (pH = 7.4): -2.8605452
• Log P: 0.29133058
• Molar Refractivity: 39.9237 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): 0.642

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%