tert-Butyl N-(3-bromopropyl)carbamate

C₈H₁₆BrNO₂CAS 83948-53-2238.12 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₈H₁₆BrNO₂
Molar mass: 238.12 g/mol
Exact mass: 237.0364 Da
logP: 2.30Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed87.5% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 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

83948-53-2

SMILES

CC(C)(C)OC(=O)NCCCBr

InChIKey

IOKGWQZQCNXXLD-UHFFFAOYSA-N

InChI

InChI=1S/C8H16BrNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 3-bromopropylcarbamate

Work with tert-Butyl N-(3-bromopropyl)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

4-(Boc-amino)butyl bromide164365-88-290 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-580 % similar 3-(Boc-amino)-1-propanol58885-58-865 % similar tert-Butyl N-(4-aminobutyl)carbamate68076-36-863 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-963 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-863 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-161 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (2-bromoethyl)(methyl)carbamate263410-12-4

Elsewhere

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