3-(methoxymethyl)pyrrolidine hydrochloride

• ChemBase ID: 21167
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1CC(COC)CC1.Cl
• Canonical SMILES: COCC1CNCC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-5-6-2-3-7-4-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: WQVGEGDALLVMOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(methoxymethyl)pyrrolidine hydrochloride
• IUPAC Traditional name: 3-(methoxymethyl)pyrrolidine hydrochloride
• Synonyms: 3-(Methoxymethyl)pyrrolidine

Database IDs

• CAS Number: 936940-38-4
• MDL Number: MFCD08688059
• PubChem SID: 160984474
• PubChem CID: 46735760

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4145815
• LogD (pH = 7.4): -3.3079743
• Log P: -0.17410356
• Molar Refractivity: 33.2871 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false