tert-Butyl 4-aminobenzoate

C₁₁H₁₅NO₂CAS 18144-47-3193.25 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₁H₁₅NO₂
Molar mass: 193.25 g/mol
Exact mass: 193.1103 Da
logP: 2.22Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

18144-47-3

SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N

InChIKey

KYORUZMJUKHKFS-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7H,12H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 4-amino-, 1,1-dimethylethyl ester

Work with tert-Butyl 4-aminobenzoate

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

tert-Butyl 3-aminobenzoate92146-82-266 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-866 % similar tert-Butyl 4-iodobenzoate120363-13-564 % similar 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-364 % similar Methyl 4-aminobenzoate619-45-459 % similar tert-Butyl 4-(bromomethyl)benzoate108052-76-258 % similar tert-Butyl 4-(chloromethyl)benzoate121579-86-058 % similar 4-(tert-Butoxycarbonyl)phenylboronic acid850568-54-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2 2-Dimethylaminoethyl benzoate2208-05-1

Elsewhere

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