dimethyl[(2S)-pyrrolidin-2-ylmethyl]amine hydrochloride

• ChemBase ID: 63853
• Molecular Formular: C7H17ClN2
• Molecular Mass: 164.67628
• Monoisotopic Mass: 164.10802623
• SMILES: Cl.CN(C)C[C@@H]1CCCN1
• Canonical SMILES: CN(C[C@@H]1CCCN1)C.Cl
• InChI: InChI=1S/C7H16N2.ClH/c1-9(2)6-7-4-3-5-8-7;/h7-8H,3-6H2,1-2H3;1H/t7-;/m0./s1
• InChIKey: XCYCGYUJNRLFNJ-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(2S)-pyrrolidin-2-ylmethyl]amine hydrochloride
• IUPAC Traditional name: dimethyl[(2S)-pyrrolidin-2-ylmethyl]amine hydrochloride
• Synonyms: (S)-N,N-Dimethyl(pyrrolidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1152113-36-4
• MDL Number: MFCD19443946
• PubChem SID: 162029592
• PubChem CID: 53346548

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%