tert-Butyl 3-aminobenzoate

C11H15NO2CAS 92146-82-2193.25 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
92146-82-2
SMILES
CC(C)(C)OC(=O)C1=CC(=CC=C1)N
InChIKey
YGIRNXMYJLWFLH-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7H,12H2,1-3H3

Weigh it out

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Names and synonyms

1 names
  • tert-Butyl-3-aminobenzoate

Work with tert-Butyl 3-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

Methyl 3-aminobenzoate4518-10-964 % similar Ethyl 3-aminobenzoate582-33-259 % similar 1-(1,1-Dimethylethyl) 3-boronobenzoate220210-56-059 % similar N-Boc-M-phenylenediamine68621-88-555 % similar tert-Butyl 2-chloropyridine-4-carboxylate295349-62-152 % similar 3,3'-Diaminobenzophenone611-79-051 % similar 3'-Aminoacetophenone99-03-651 % similar tert-Butyl 3-aminobenzylcarbamate147291-66-551 % 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 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2

Elsewhere

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