[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine

• ChemBase ID: 19207
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(CC1)CN)CCOC
• Canonical SMILES: COCCN1CCC(C1)CN
• InChI: InChI=1S/C8H18N2O/c1-11-5-4-10-3-2-8(6-9)7-10/h8H,2-7,9H2,1H3
• InChIKey: SVWDIDWSZJLAMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine
• IUPAC Traditional name: [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine
• Synonyms: [1-(2-Methoxyethyl)-3-pyrrolidinyl]methanamine; 1-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine; [1-(2-methoxyethyl)pyrrolidin-3-yl]methanamine; C-[1-(2-Methoxy-ethyl)-pyrrolidin-3-yl]-methylamine

Database IDs

• CAS Number: 910443-61-7
• MDL Number: MFCD08059731
• PubChem SID: 160982514
• PubChem CID: 17389989

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.5601907
• LogD (pH = 7.4): -4.4311247
• Log P: -0.58803946
• Molar Refractivity: 46.5316 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.454
• Hydrophobicity(logP): -0.363

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%