N-Boc-M-phenylenediamine

C₁₁H₁₆N₂O₂CAS 68621-88-5208.26 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 swallowed97.8% of notifiers
H319 Causes serious eye irritation95.7% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

68621-88-5

SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)N

InChIKey

IEUIEMIRUXSXCL-UHFFFAOYSA-N

InChI

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

1 names

tert-Butyl N-(3-aminophenyl)carbamate

Work with N-Boc-M-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

3-(Aminomethyl)-1-N-boc-aniline205318-52-165 % similar t-Butyl carbanilate3422-01-365 % similar Boc-3-aminobenzoic acid111331-82-961 % similar tert-Butyl 3-aminobenzylcarbamate147291-66-561 % similar (3-Boc-aminophenyl)boronic acid380430-68-261 % similar tert-Butyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate330793-09-459 % similar tert-Butyl 3-aminobenzoate92146-82-255 % similar 4-(Boc-amino)pyridine98400-69-254 % 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 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

PubChem CAS Common Chemistry NIST WebBook