4-(Boc-amino)butyl bromide

C₉H₁₈BrNO₂CAS 164365-88-2252.15 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₉H₁₈BrNO₂
Molar mass: 252.15 g/mol
Exact mass: 251.0521 Da
logP: 2.69Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H318 Causes serious eye damage97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P354+P338, P317

Identifiers

CAS number

164365-88-2

SMILES

CC(C)(C)OC(=O)NCCCCBr

InChIKey

GKGFAEREWWZBKY-UHFFFAOYSA-N

InChI

InChI=1S/C9H18BrNO2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7H2,1-3H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

tert-Butyl N-(4-bromobutyl)carbamate

Work with 4-(Boc-amino)butyl bromide

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)carbamate83948-53-290 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-577 % similar tert-Butyl N-(4-aminobutyl)carbamate68076-36-866 % similar tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-966 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-164 % similar 3-(Boc-amino)-1-propanol58885-58-863 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-861 % similar Boc-5-aminopentanoic acid27219-07-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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