[(1-ethylpyrrolidin-2-yl)methyl](methyl)amine

• ChemBase ID: 75348
• Molecular Formular: C8H18N2
• Molecular Mass: 142.24192
• Monoisotopic Mass: 142.14699859
• SMILES: N1(C(CCC1)CNC)CC
• Canonical SMILES: CNCC1CCCN1CC
• InChI: InChI=1S/C8H18N2/c1-3-10-6-4-5-8(10)7-9-2/h8-9H,3-7H2,1-2H3
• InChIKey: GIMRAHPLZCMZKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethylpyrrolidin-2-yl)methyl](methyl)amine
• IUPAC Traditional name: [(1-ethylpyrrolidin-2-yl)methyl](methyl)amine
• Synonyms: [(1-ethylpyrrolidin-2-yl)methyl](methyl)amine; N-(1-Ethylpyrrolidin-2-ylmethyl)-N-methylamine; 1-Ethyl-2-[(methylamino)methyl]pyrrolidine 97%

Database IDs

• CAS Number: 60923-27-5
• MDL Number: MFCD04114073
• PubChem SID: 162040266
• PubChem CID: 2762718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.5605507
• LogD (pH = 7.4): -2.3664353
• Log P: 0.6481385
• Molar Refractivity: 44.6723 cm^3
• Polarizability: 17.811394 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.129

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%