2-(1-aminocyclopentyl)acetic acid hydrochloride

• ChemBase ID: 141737
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C1CCC(C1)(CC(=O)O)N.Cl
• Canonical SMILES: OC(=O)CC1(N)CCCC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c8-7(5-6(9)10)3-1-2-4-7;/h1-5,8H2,(H,9,10);1H
• InChIKey: KFOJPDHGYZIFNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-aminocyclopentyl)acetic acid hydrochloride
• IUPAC Traditional name: (1-aminocyclopentyl)acetic acid hydrochloride
• Synonyms: 1-Aminocyclopentaneacetic acid hydrochloride; 2-(1-Aminocyclopentyl)acetic acid hydrochloride; 1-氨基环戊基乙酸 盐酸盐; 2-(1-氨基环戊基)乙酸 盐酸盐

Database IDs

• MDL Number: MFCD06411716
• PubChem SID: 24864296; 162235971
• PubChem CID: 16212492

CALCULATED PROPERTIES

• Acid pKa: 4.196527
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.9119672
• LogD (pH = 7.4): -1.8949183
• Log P: -1.8952078
• Molar Refractivity: 37.0056 cm^3
• Polarizability: 14.9515705 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (AT)
• Empirical Formula (Hill Notation): C7H13NO2 · HCl

DETAILS

Sigma Aldrich - 38965

Packaging
1 g in poly tube