(3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride

• ChemBase ID: 241943
• Molecular Formular: C8H18ClNO2
• Molecular Mass: 195.68702
• Monoisotopic Mass: 195.1026065
• SMILES: N1CC[C@H](OCCOCC)C1.Cl
• Canonical SMILES: CCOCCO[C@@H]1CNCC1.Cl
• InChI: InChI=1S/C8H17NO2.ClH/c1-2-10-5-6-11-8-3-4-9-7-8;/h8-9H,2-7H2,1H3;1H/t8-;/m0./s1
• InChIKey: XBYJWDZOXOZUAO-QRPNPIFTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride
• IUPAC Traditional name: (3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride
• Synonyms: (3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride

Database IDs

• MDL Number: MFCD22565956
• PubChem SID: 164297853
• PubChem CID: 71756910

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2159886
• LogD (pH = 7.4): -2.8350072
• Log P: 0.018180331
• Molar Refractivity: 44.0956 cm^3
• Polarizability: 17.64941 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.084

Product Information

• Purity: 95%