N,N-dimethylpyrrolidin-3-amine dihydrochloride

• ChemBase ID: 48033
• Molecular Formular: C6H16Cl2N2
• Molecular Mass: 187.11064
• Monoisotopic Mass: 186.06905388
• SMILES: N1CC(N(C)C)CC1.Cl.Cl
• Canonical SMILES: CN(C1CNCC1)C.Cl.Cl
• InChI: InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-4-7-5-6;;/h6-7H,3-5H2,1-2H3;2*1H
• InChIKey: LCPKWRSLMCUOOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpyrrolidin-3-amine dihydrochloride
• IUPAC Traditional name: N,N-dimethylpyrrolidin-3-amine dihydrochloride
• Synonyms: N,N-Dimethyl-3-pyrrolidinamine dihydrochloride; N-diMethylpyrrolidin-3-aMine dihydrochloride

Database IDs

• CAS Number: 50534-42-4
• MDL Number: MFCD13561578
• PubChem SID: 162052796
• PubChem CID: 22120278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.6740437
• LogD (pH = 7.4): -3.3091161
• Log P: -0.22603208
• Molar Refractivity: 35.2791 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%