ethyl 4-(methylamino)piperidine-1-carboxylate

• ChemBase ID: 294206
• Molecular Formular: C9H18N2O2
• Molecular Mass: 186.25142
• Monoisotopic Mass: 186.13682783
• SMILES: O=C(N1CCC(NC)CC1)OCC
• Canonical SMILES: CCOC(=O)N1CCC(CC1)NC
• InChI: InChI=1S/C9H18N2O2/c1-3-13-9(12)11-6-4-8(10-2)5-7-11/h8,10H,3-7H2,1-2H3
• InChIKey: QKPLFXBOWHKIQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-(methylamino)piperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-(methylamino)piperidine-1-carboxylate
• Synonyms: Ethyl 4-(methylamino)piperidine-1-carboxylate; 4-(Methylamino)piperidine-1-carboxylic acid ethyl ester; Ethyl 4-(methylamino)piperidine-1-carboxylate; 4-(甲基氨基)哌啶-1-甲酸乙酯

Database IDs

• CAS Number: 73733-69-4
• MDL Number: MFCD07781124
• PubChem SID: 180679737
• PubChem CID: 11063140

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1952155
• LogD (pH = 7.4): -2.7538018
• Log P: 0.036921084
• Molar Refractivity: 50.7879 cm^3
• Polarizability: 20.017399 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%