tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate

C₁₁H₁₇N₃O₂CAS 187237-37-2223.28 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₁₇N₃O₂
Molar mass: 223.28 g/mol
Exact mass: 223.1321 Da
logP: 1.89Crippen estimate
Polar surface area: 77.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

187237-37-2

SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)CN

InChIKey

DFLQTVPEIMTXSZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,6,12H2,1-3H3,(H,13,14,15)

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N-(5-(aminomethyl)pyridin-2-yl)carbamate

Work with tert-Butyl [(5-(aminomethyl)pyridin-2-yl]carbamate

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 [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-573 % similar tert-Butyl N-(4-(aminomethyl)phenyl)carbamate220298-96-465 % similar 2-(Boc-amino)-5-bromopyridine159451-66-862 % similar tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-760 % similar (6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-758 % similar 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-458 % similar 3-(Aminomethyl)-1-N-boc-aniline205318-52-156 % similar tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate910462-31-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-8

Elsewhere

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