ethyl 4-aminopiperidine-1-carboxylate

• ChemBase ID: 34709
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: N1(C(=O)OCC)CCC(CC1)N
• Canonical SMILES: CCOC(=O)N1CCC(CC1)N
• InChI: InChI=1S/C8H16N2O2/c1-2-12-8(11)10-5-3-7(9)4-6-10/h7H,2-6,9H2,1H3
• InChIKey: GQQQULCEHJQUJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-aminopiperidine-1-carboxylate
• IUPAC Traditional name: ethyl 4-aminopiperidine-1-carboxylate
• Synonyms: 1-Carbethoxy-4-aminopiperidine; Ethyl 4-amino-1-piperidinecarboxylate; Ethyl 4-aminopiperidine-1-carboxylate 98%; Ethyl 4-aminopiperidine-1-carboxylate; 4-Aminopiperidine-1-carboxylic acid ethyl ester; 1-Ethoxycarbonyl-4-piperidinamine; Ethyl 4-aminopiperidine-1-carboxylate; 1-Piperidinecarboxylic acid, 4-amino-, ethyl ester; 4-氨基-1-哌啶甲酸乙酯; 4-氨基哌啶-1-羧酸乙酯

Database IDs

• CAS Number: 58859-46-4
• EC Number: 261-472-3
• MDL Number: MFCD00006484
• Beilstein Number: 388597
• PubChem SID: 160998016; 24851859; 24846291
• PubChem CID: 100867

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4134831
• LogD (pH = 7.4): -2.844489
• Log P: -0.3956593
• Molar Refractivity: 46.0133 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-120°C/6mm; 135-138°C
• Flash Point: 172.4 °F; 78 °C; 78°C(172°F)
• Density: 1.004; 1.004 g/mL at 25 °C(lit.)
• Refractive Index: 1.4830; n20/D 1.483; n20/D 1.483(lit.)

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 23-26-37; 26-36
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥96% (NT); 96%; 97%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C8H16N2O2

DETAILS

Sigma Aldrich - 198064

Packaging
5, 25 g in glass bottle
Application
Reactant for synthesis of: Milrinone analogs to analyze effects on intracellular calcium increase in cardiac cells1 Tetrahydronaphthalene derivatives2 Quorum sensing modulators3 Selective anti-Helicobacter pylori activity molecules4 Orally active M1 mAChR agonists5 Aza derivatives of phytoalexin for antibacterial activity6

Sigma Aldrich - 09255

Application
Reactant for synthesis of: Milrinone analogs to analyze effects on intracellular calcium increase in cardiac cells1 Tetrahydronaphthalene derivatives2 Quorum sensing modulators3 Selective anti-Helicobacter pylori activity molecules4 Orally active M1 mAChR agonists5 Aza derivatives of phytoalexin for antibacterial activity6