chempirical

tert-Butyl N-(3-bromopropyl)carbamate

C8H16BrNO2CAS 83948-53-2238.12 g/mol

Open in Covalent MOL file
OONHBr
Alkyl halideCarbamate

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)

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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

Elsewhere

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