tert-Butyl methylcarbamate

C₆H₁₃NO₂CAS 16066-84-5131.17 g/mol

Open in Covalent MOL file

Carbamate

Properties

Molecular formula: C₆H₁₃NO₂
Molar mass: 131.17 g/mol
Exact mass: 131.0946 Da
logP: 1.14Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed25% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

16066-84-5

SMILES

CC(C)(C)OC(=O)NC

InChIKey

JHLVEBNWCCKSGY-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names

tert-Butyl-N-methylcarbamate

Work with tert-Butyl methylcarbamate

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

N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-153 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-852 % similar 1-(2-N-Boc-aminoethyl)piperazine140447-78-548 % similar tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride217806-26-348 % similar N-Boc-ethylenediamine hydrochloride79513-35-248 % similar tert-Butyl N-(2-oxopropyl)carbamate170384-29-948 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-248 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylaminoethyl acetate1421-89-2 L-Alloisoleucine1509-34-8 D-Alloisoleucine1509-35-9 L-tert-Leucine20859-02-3 N-Methyl-L-valine2480-23-1 D-tert-Leucine26782-71-8 D-Isoleucine319-78-8 D-Norleucine327-56-0

Elsewhere

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