trans-4-Methylcyclohexylamine hydrochloride

C7H16ClNCAS 33483-65-7149.66 g/mol

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NH2HCl
Primary amine

Properties

Molecular formula
C7H16ClN
Molar mass
149.66 g/mol
Exact mass
149.0971 Da
Melting point
260 °C
logP
1.95Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
r, rin SMILES atom order

Hazards

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

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Identifiers

CAS number
33483-65-7
SMILES
C[C@H]1CC[C@H](N)CC1.Cl
InChIKey
GIRKJSRZELQHDX-MEZFUOHNNA-N
InChI
InChI=1/C7H15N.ClH/c1-6-2-4-7(8)5-3-6;/h6-7H,2-5,8H2,1H3;1H/t6-,7-;

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Names and synonyms

4 names
  • Cyclohexanamine, 4-methyl-, hydrochloride (1:1), trans-
  • Cyclohexylamine, 4-methyl-, hydrochloride, trans-
  • Cyclohexanamine, 4-methyl-, hydrochloride, trans-
  • trans-4-Methylcyclohexanamine hydrochloride

Work with trans-4-Methylcyclohexylamine hydrochloride

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.

4-Methylcyclohexylamine6321-23-9Free base, stereo not defined trans-4-Methylcyclohexylamine2523-55-9Free base

Similar compounds

Cyclobutylammonium chloride6291-01-652 % similar trans-1,4-Diaminocyclohexane2615-25-050 % similar 1,4-Diaminocyclohexane3114-70-350 % similar Cyclohexylamine hydrochloride4998-76-950 % similar trans-4-Aminocyclohexanol hydrochloride50910-54-850 % similar 1,4-Dimethylcyclohexane589-90-250 % similar cis-1,4-Dimethylcyclohexane624-29-350 % similar Cyclopropylamine765-30-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-N,N-diethyl-1-propanamine104-77-8 Mepiquat chloride24307-26-4

Elsewhere

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