tert-Butyl N-(2-bromoethyl)carbamate

C₇H₁₄BrNO₂CAS 39684-80-5224.10 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₇H₁₄BrNO₂
Molar mass: 224.10 g/mol
Exact mass: 223.0208 Da
logP: 1.91Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed76.9% of notifiers
H312 Harmful in contact with skin15.4% of notifiers
H315 Causes skin irritation92.3% of notifiers
H319 Causes serious eye irritation92.3% of notifiers
H332 Harmful if inhaled15.4% of notifiers
H335 May cause respiratory irritation84.6% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

39684-80-5

SMILES

CC(C)(C)OC(=O)NCCBr

InChIKey

TZRQZPMQUXEZMC-UHFFFAOYSA-N

InChI

InChI=1S/C7H14BrNO2/c1-7(2,3)11-6(10)9-5-4-8/h4-5H2,1-3H3,(H,9,10)

Weigh it out

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

Work with tert-Butyl N-(2-bromoethyl)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 N-(3-bromopropyl)carbamate83948-53-280 % similar 4-(Boc-amino)butyl bromide164365-88-277 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-867 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-163 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-263 % similar N-(tert-Butoxycarbonyl)-2-aminoethanethiol67385-09-563 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-459 % similar 3-(Boc-amino)-1-propanol58885-58-859 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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