N-(tert-Butoxycarbonyl)-1,2-phenylenediamine

C₁₁H₁₆N₂O₂CAS 146651-75-4208.26 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
logP: 2.62Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

146651-75-4

SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1N

InChIKey

KCZFBLNQOSFGSH-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)

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Names and synonyms

1 names

(2-Amino-phenyl)-carbamic acid tert-butyl ester

Work with N-(tert-Butoxycarbonyl)-1,2-phenylenediamine

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

Boc-2-abz-oh68790-38-560 % similar t-Butyl carbanilate3422-01-359 % similar tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate159624-15-457 % similar 2-(Boc-amino)pyridine38427-94-052 % similar (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-251 % similar tert-Butyl N-(thiophen-2-yl)carbamate56267-50-650 % similar 4-(Boc-amino)pyridine98400-69-249 % similar (3-Iodo-pyridin-4-yl)-carbamic acid tert-butyl ester211029-67-348 % 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 2-Methoxy-4-morpholinoaniline209960-91-8 N-Boc-M-phenylenediamine68621-88-5 tert-Butyl (4-aminophenyl)carbamate71026-66-9 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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