CAS 75178-90-4|tert-butyl N-(5-hydroxypentyl)carbamate|tert-Butyl 5-hydroxypentylcarbamate|5-Aminopentan-1-ol, N-BOC protected 95%|tert-butyl N-(5-hydroxypentyl)carbamate|N-(5-羟基戊基)氨基甲酸叔丁...

General Information

Structure

Molecular Formula

C₁₀H₂₁NO₃

Molecular Mass

203.27864

Exact Mass

203.15214354

Charge

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

Canonic Smiles

OCCCCCNC(=O)OC(C)(C)C

Isomeric Smiles

OCCCCCNC(=O)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

15.9960165

H Acceptors

H Donor

LogD (pH = 5.5)

1.1984276

LogD (pH = 7.4)

1.1984276

Log P

1.1984276

Molar Refractivity

55.1951

Polarizability

21.69024

Polar Surface Area

58.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

tert-butyl N-(5-hydroxypentyl)carbamate

Synonyms

tert-Butyl 5-hydroxypentylcarbamate5-Aminopentan-1-ol, N-BOC protected 95%N-(5-羟基戊基)氨基甲酸叔丁酯5-(Boc-氨基)-1-戊醇tert-Butyl N-(5-hydroxypentyl)carbamate5-(Boc-amino)-1-pentanol5-(tert-Butoxycarbonyl)amino-1-pentanolN-(tert-Butoxycarbonyl)-5-aminopentanoltert-Butyl (5-hydroxypentyl)carbamate5-[[(t-Butyloxy)carbonyl]amino]pentanolN-(5-Hydroxypentyl)carbamic Acid 1,1-Dimethylethyl Ester5-(t-Boc-amino)-1-pentanol5-(tert-Butoxycarbonylamino)-1-pentanol

IUPAC Traditional name

tert-butyl N-(5-hydroxypentyl)carbamate

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID