(S)-(+)-1-Cyclohexylethylamine

C₈H₁₇NCAS 17430-98-7127.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₇N
Molar mass: 127.23 g/mol
Exact mass: 127.1361 Da
logP: 1.91Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed69.8% of notifiers
H311 Toxic in contact with skin69.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage70.5% of notifiers
H411 Toxic to aquatic life with long lasting effects26.8% of notifiers

Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P391, P403+P235, P405, P501

Identifiers

CAS number

17430-98-7

SMILES

C[C@@H](C1CCCCC1)N

InChIKey

XBWOPGDJMAJJDG-ZETCQYMHSA-N

InChI

InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3/t7-/m0/s1

Weigh it out

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

Work with (S)-(+)-1-Cyclohexylethylamine

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.

(-)-1-Cyclohexylethylamine5913-13-3Enantiomer

Similar compounds

Isopropylcyclohexane696-29-748 % similar Bicyclohexyl92-51-344 % similar 1-Cyclohexylethanol1193-81-342 % similar cis-Decalin493-01-639 % similar trans-Decalin493-02-739 % similar Decalin91-17-839 % similar (S)-2-Amino-2-cyclohexyl-ethanol845714-30-938 % similar Methylcyclohexane108-87-238 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Propylpiperidine22398-09-0 Coniine3238-60-6 Cyclooctylamine5452-37-9 Cyclohexylethylamine5459-93-8 1-Butylpyrrolidine767-10-2 N,N-Dimethylcyclohexylamine98-94-2

Elsewhere

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