chempirical

tert-Butyl (4-aminophenyl)carbamate

C11H16N2O2CAS 71026-66-9208.26 g/mol

Open in Covalent MOL file
OOHNNH2
CarbamatePrimary amine

Properties

Molecular formula
C11H16N2O2
Molar mass
208.26 g/mol
Exact mass
208.1212 Da
Melting point
112–114 °C
logP
2.62Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
71026-66-9
SMILES
CC(C)(C)OC(=O)Nc1ccc(N)cc1
InChIKey
WIVYTYZCVWHWSH-UHFFFAOYSA-N
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h4-7H,12H2,1-3H3,(H,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Carbamic acid, N-(4-aminophenyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (4-aminophenyl)-, 1,1-dimethylethyl ester
  • O-(1,1-Dimethylethyl) N-(4-aminophenyl)carbamate
  • 4-(tert-Butoxycarbonylamino)aniline
  • N-(tert-Butoxycarbonyl)-1,4-phenylenediamine
  • N-(t-Butoxycarbonyl)-4-aminoaniline
  • (4-Aminophenyl)carbamic acid tert-butyl ester
  • (4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester
  • N-(4-Aminophenyl)carbamic acid 1,1-dimethylethyl ester
  • tert-Butyl N-(4-anilino)carbamate
  • 4-t-Butoxycarbonylaminoaniline
  • 4-tert-Butoxycarbonylaminophenylamine
  • 1,1-Dimethylethyl (4-aminophenyl)carbamate
  • N-(tert-Butoxycarbonyl)-p-phenylenediamine
  • 4-Amino-N-tert-butoxycarbonylaniline

Work with tert-Butyl (4-aminophenyl)carbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-267 % similar tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-659 % similar Boc-3-aminobenzoic acid111331-82-949 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-443 % similar N-(4-Aminophenyl)benzamide17625-83-143 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-842 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-541 % similar Methyl N-(4-methylphenyl)carbamate5602-96-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(Dimethylamino)ethyl p-aminobenzoate10012-47-2 Pilocarpine92-13-7

Elsewhere

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