CAS 71999-74-1|tert-butyl N-(2-chloroethyl)carbamate|tert-Butyl (2-chloroethyl)carbamate|1-Amino-2-chloroethane, N-BOC protected|tert-butyl N-(2-chloroethyl)carbamate|tert-Butyl N-(2-chloroethyl)car...

General Information

Structure

Molecular Formula

C₇H₁₄ClNO₂

Molecular Mass

179.64456

Exact Mass

179.07130637

Charge

InChI

InChI=1S/C7H14ClNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)

InChIKey

VACLTXTYDFLHJW-UHFFFAOYSA-N

Canonic Smiles

ClCCNC(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(OC(C)(C)C)NCCCl

Calculated Properties

JChem

Acid pKa

14.013281

H Acceptors

H Donor

LogD (pH = 5.5)

1.5311284

LogD (pH = 7.4)

1.5311283

Log P

1.5311284

Molar Refractivity

44.1351

Polarizability

17.416246

Polar Surface Area

38.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-Amino-2-chloroethane, N-BOC protectedtert-Butyl (2-chloroethyl)carbamatetert-Butyl N-(2-chloroethyl)carbamateN-(2-Chloroethyl)carbamic Acid 1,1-Dimethylethyl EsterN-t-Butoxycarbonyl-2-chloroethylamineN-(tert-Butoxycarbonyl)-2-chloroethylamine2-[(tert-Butoxycarbonyl)amino]-1-chloroethaneN-Boc-2-chloroethylamine

IUPAC name

tert-butyl N-(2-chloroethyl)carbamate

IUPAC Traditional name

tert-butyl N-(2-chloroethyl)carbamate

Names and Identifiers

Registration numbers

MDL Number

MFCD04004074

CAS Number

71999-74-1

PubChem SID

162049847