CAS 146651-75-4|tert-butyl N-(2-aminophenyl)carbamate|tert-butyl N-(2-aminophenyl)carbamate|tert-Butyl (2-aminophenyl)carbamate|tert-butyl 2-aminophenylcarbamate|Mono-N-Boc-o-phenylenediamine|(2-Ami...

General Information

Structure

Molecular Formula

C₁₁H₁₆N₂O₂

Molecular Mass

208.25694

Exact Mass

208.12117776

Charge

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)

InChIKey

KCZFBLNQOSFGSH-UHFFFAOYSA-N

Canonic Smiles

O=C(OC(C)(C)C)Nc1ccccc1N

Isomeric Smiles

C(=O)(Nc1c(cccc1)N)OC(C)(C)C

Calculated Properties

JChem

Acid pKa

12.994704

H Acceptors

H Donor

LogD (pH = 5.5)

2.0533118

LogD (pH = 7.4)

2.0552552

Log P

2.055281

Molar Refractivity

61.0506

Polarizability

22.565247

Polar Surface Area

64.35

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

tert-butyl N-(2-aminophenyl)carbamate

IUPAC name

tert-butyl N-(2-aminophenyl)carbamate

Synonyms

tert-Butyl (2-aminophenyl)carbamatetert-butyl 2-aminophenylcarbamateMono-N-Boc-o-phenylenediamine(2-Aminophenyl)-carbamic acid tert-butyl ester单-N-Boc-邻苯二胺N-Boc-1,2-苯二胺(2-氨基苯基)-氨基甲酸叔丁酯N-Boc-1,2-phenylenediamineN-Boc-1,2-phenyldiaminetert-Butyl (2-Aminophenyl)carbamateN-(2-Aminophenyl)carbamic Acid 1,1-Dimethylethyl Ester(2-Aminophenyl)carbamic Acid tert-Butyl EsterN-tert-Butoxycarbonyl-o-phenylenediamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties