tert-butyl 5-aminopentanoate hydrochloride

• ChemBase ID: 245458
• Molecular Formular: C9H20ClNO2
• Molecular Mass: 209.7136
• Monoisotopic Mass: 209.11825657
• SMILES: C(=O)(OC(C)(C)C)CCCCN.Cl
• Canonical SMILES: NCCCCC(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C9H19NO2.ClH/c1-9(2,3)12-8(11)6-4-5-7-10;/h4-7,10H2,1-3H3;1H
• InChIKey: GWWQVJQECNYNPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 5-aminopentanoate hydrochloride
• IUPAC Traditional name: tert-butyl 5-aminopentanoate hydrochloride
• Synonyms: tert-butyl 5-aminopentanoate hydrochloride

Database IDs

• MDL Number: MFCD19105598
• PubChem SID: 164301368
• PubChem CID: 71757718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0013585
• LogD (pH = 7.4): -1.5813175
• Log P: 1.0226208
• Molar Refractivity: 48.6335 cm^3
• Polarizability: 19.596916 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.119

Product Information

• Purity: 95%