tert-butyl N-(5-hydroxypentyl)carbamate

• ChemBase ID: 75153
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: OCCCCCNC(=O)OC(C)(C)C
• Canonical SMILES: OCCCCCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)
• InChIKey: DDGNGFVNTZJMMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(5-hydroxypentyl)carbamate
• IUPAC Traditional name: tert-butyl N-(5-hydroxypentyl)carbamate
• Synonyms: tert-Butyl 5-hydroxypentylcarbamate; 5-Aminopentan-1-ol, N-BOC protected 95%; N-(5-Hydroxypentyl)carbamic Acid 1,1-Dimethylethyl Ester; 5-(tert-Butoxycarbonyl)amino-1-pentanol; 5-[[(t-Butyloxy)carbonyl]amino]pentanol; N-(tert-Butoxycarbonyl)-5-aminopentanol; tert-Butyl (5-hydroxypentyl)carbamate; 5-(t-Boc-amino)-1-pentanol; 5-(tert-Butoxycarbonylamino)-1-pentanol; tert-Butyl N-(5-hydroxypentyl)carbamate; 5-(Boc-amino)-1-pentanol; N-(5-羟基戊基)氨基甲酸叔丁酯; 5-(Boc-氨基)-1-戊醇

Database IDs

• CAS Number: 75178-90-4
• MDL Number: MFCD01862955
• Beilstein Number: 3603659
• PubChem SID: 162040071; 24849281
• PubChem CID: 4456136

CALCULATED PROPERTIES

• Acid pKa: 15.9960165
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1984276
• LogD (pH = 7.4): 1.1984276
• Log P: 1.1984276
• Molar Refractivity: 55.1951 cm^3
• Polarizability: 21.69024 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Pale Yellow Oil
• Flash Point: >109°C(228°F); 109°C; 228.2 °F
• Density: 1.00 g/mL at 20 °C(lit.); 1.000
• Refractive Index: 1.4560; n20/D 1.45

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Irritant; Moisture Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 96%
• Linear Formula: (CH3)3CO2CNH(CH2)5OH

DETAILS

Sigma Aldrich - 15307

Other Notes
Linker (anthraquinone-oligopeptide)1
Packaging
5 mL in glass bottle

REFERENCES

• Kim, I., et al.: J. Med. Chem., 50, 5217 (2007)
• Kane, B., et al.: Bioorg. Med. Chem., 16, 1376 (2007)