tert-Butyl (4-aminophenyl)carbamate

C₁₁H₁₆N₂O₂CAS 71026-66-9208.26 g/mol

Open in Covalent MOL file

Carbamate Primary 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H317 May cause an allergic skin reaction66.7% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

t-Butyl carbanilate3422-01-368 % similar tert-Butyl N-(4-bromophenyl)-carbamate131818-17-267 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-267 % similar tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-466 % similar 4-(Boc-amino)pyridine98400-69-264 % similar (4-Boc-aminophenyl)boronic acid380430-49-962 % similar Boc-4-abz-oh66493-39-862 % similar tert-Butyl N-[(4-aminophenyl)methyl]carbamate94838-55-862 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(Dimethylamino)ethyl p-aminobenzoate10012-47-2 2-(N-Boc-Amino)-3-methylpyridine138343-75-6 N-(tert-Butoxycarbonyl)-1,2-phenylenediamine146651-75-4 2-Methoxy-4-morpholinoaniline209960-91-8 N-Boc-M-phenylenediamine68621-88-5 3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one849903-79-3 Pilocarpine92-13-7

Elsewhere

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