ethyl 1-aminocyclobutane-1-carboxylate hydrochloride

• ChemBase ID: 150691
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: CCOC(=O)C1(CCC1)N.Cl
• Canonical SMILES: CCOC(=O)C1(N)CCC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-2-10-6(9)7(8)4-3-5-7;/h2-5,8H2,1H3;1H
• InChIKey: YGAYWFFKRVMVBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-aminocyclobutane-1-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 1-aminocyclobutane-1-carboxylate hydrochloride
• Synonyms: Ethyl 1-amino-1-cyclobutanecarboxylate monohydrochloride; 1-Amino-cyclobutanecarboxylic acid ethyl ester hydrochloride; 1-氨基-1-环丁烷甲酸乙酯 单盐酸盐

Database IDs

• CAS Number: 145143-60-8
• MDL Number: MFCD05664344
• PubChem SID: 24881662; 162244852
• PubChem CID: 16217503

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4472375
• LogD (pH = 7.4): 0.15527384
• Log P: 0.49350682
• Molar Refractivity: 37.3731 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36-42/43
• Safety Statements: 22-26-36/37
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H317-H319-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: C2H5O2CC4H6NH2·HCl

DETAILS

Sigma Aldrich - 596981

Packaging
1 g in glass bottle