6-Bromohexanamide

C₆H₁₂BrNOCAS 57817-55-7194.07 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₆H₁₂BrNO
Molar mass: 194.07 g/mol
Exact mass: 193.0102 Da
Melting point: 92–93 °C
logP: 2.48Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed50% 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 irritation100% of notifiers

Aggregated from 2 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

57817-55-7

SMILES

N=C(O)CCCCCBr

InChIKey

LGCGXHIRLZORQA-UHFFFAOYSA-N

InChI

InChI=1S/C6H12BrNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)

Weigh it out

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Names and synonyms

3 names

Hexanamide, 6-bromo-
6-Bromocaproamide
NSC 277296

Work with 6-Bromohexanamide

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

Adipamide628-94-467 % similar Dodecanamide1120-16-758 % similar Stearamide124-26-558 % similar Behenamide3061-75-458 % similar Hexadecanamide629-54-958 % similar Tetradecanamide638-58-458 % similar Hexanamide628-02-454 % similar Succinamide110-14-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook