N,N-Diethylcyclohexylamine

C₁₀H₂₁NCAS 91-65-6155.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₂₁N
Molar mass: 155.28 g/mol
Exact mass: 155.1674 Da
Density: 0.8445 g/mL (at 25 °C)
Melting point: 172 °C
Boiling point: 193 °C
logP: 2.66Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed98.4% of notifiers
H310 Fatal in contact with skin36.5% of notifiers
H312 Harmful in contact with skin61.9% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H330 Fatal if inhaled36.5% of notifiers
H332 Harmful if inhaled61.9% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

91-65-6

SMILES

CCN(CC)C1CCCCC1

InChIKey

CIXSDMKDSYXUMJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H21N/c1-3-11(4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

Cyclohexanamine, N,N-diethyl-
Cyclohexylamine, N,N-diethyl-
N,N-Diethylcyclohexanamine
Diethylcyclohexylamine
Cyclohexyldiethylamine
NSC 5313
N-Cyclohexyl-N,N-diethylamine

Work with N,N-Diethylcyclohexylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2R)-1-Ethyl-2-pyrrolidinemethanamine22795-97-748 % similar (2S)-1-Ethyl-2-pyrrolidinemethanamine22795-99-948 % similar 2-Aminomethyl-1-ethylpyrrolidine26116-12-148 % similar 1-Cyclohexylpiperazine17766-28-846 % similar 1-Cycloheptylpiperazine21043-42-546 % similar 1-Cyclooctylpiperazine21043-43-646 % similar Methyldicyclohexylamine7560-83-045 % similar N,N-Dimethylcyclohexylamine98-94-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-3-Cyclohexyl-2-methylpropan-1-amine2248183-91-5 4-tert-Butylcyclohexylamine5400-88-4 1,2,2,6,6-Pentamethylpiperidine79-55-0

Elsewhere

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