chempirical

t-Butyl carbanilate

C11H15NO2CAS 3422-01-3193.25 g/mol

Open in Covalent MOL file
OOHN
Carbamate

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
logP
3.03Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
3422-01-3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1
InChIKey
KZZHPWMVEVZEFG-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)

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

Names and synonyms

1 names
  • N-Boc aniline

Work with t-Butyl carbanilate

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 N-(4-bromophenyl)-carbamate131818-17-268 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-268 % similar tert-Butyl (4-aminophenyl)carbamate71026-66-968 % similar tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-462 % similar (4-Boc-aminophenyl)boronic acid380430-49-962 % similar Boc-3-aminobenzoic acid111331-82-960 % similar 3-(Aminomethyl)-1-N-boc-aniline205318-52-160 % similar (3-Boc-aminophenyl)boronic acid380430-68-260 % 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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