Cyclohexylammonium bromide

C6H14BrNCAS 26227-54-3180.09 g/mol

Open in Covalent MOL file
HBrH2N
Primary amine

Properties

Molecular formula
C6H14BrN
Molar mass
180.09 g/mol
Exact mass
179.0310 Da
Melting point
196–197 °C
logP
1.86Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
26227-54-3
SMILES
Br.NC1CCCCC1
InChIKey
QOHWJRRXQPGIQW-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N.BrH/c7-6-4-2-1-3-5-6;/h6H,1-5,7H2;1H

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Names and synonyms

4 names
  • Cyclohexanamine, hydrobromide (1:1)
  • Cyclohexylamine, hydrobromide
  • Cyclohexanamine, hydrobromide
  • NSC 613661

Work with Cyclohexylammonium 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyclohexylamine108-91-8Free base Cyclohexylamine hydrochloride4998-76-9Salt 2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)35556-70-8Salt Cyclohexylammonium phosphoenolpyruvate10526-80-4Salt Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-9Salt Beta-nadph tetra(cyclohexylammonium) salt100929-71-3Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-8Salt X-Gluc114162-64-0Salt 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt144110-43-0Salt Dansyl-dl-aspartic acid di(cyclohexylamm102783-64-2Salt L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-7Salt L-Ornithine, N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1)80745-09-1Salt

Similar compounds

Cyclododecanamine1502-03-080 % similar Cycloheptylamine5452-35-780 % similar Cyclooctylamine5452-37-980 % similar Cyclopentylamine1003-03-873 % similar Cyclobutylamine2516-34-963 % similar Cyclobutylammonium chloride6291-01-653 % similar trans-1,4-Diaminocyclohexane2615-25-050 % similar 1,4-Diaminocyclohexane3114-70-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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