Hexaethylguanidinium chloride

C₁₃H₃₀ClN₃CAS 69082-76-4263.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₃₀ClN₃
Molar mass: 263.85 g/mol
Exact mass: 263.2128 Da
Melting point: 134 °C
logP: -0.92Crippen estimate
Polar surface area: 9.5 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

69082-76-4

SMILES

CCN(CC)C(N(CC)CC)=[N+](CC)CC.[Cl-]

InChIKey

LYWKAJZTPLXHEM-UHFFFAOYSA-M

InChI

InChI=1S/C13H30N3.ClH/c1-7-14(8-2)13(15(9-3)10-4)16(11-5)12-6;/h7-12H2,1-6H3;1H/q+1;/p-1

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Names and synonyms

2 names

Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride (1:1)
Ethanaminium, N-[bis(diethylamino)methylene]-N-ethyl-, chloride

Work with Hexaethylguanidinium chloride

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

N,N,N′,N′-Tetraethylurea1187-03-738 % similar N,N-Diethylacetamide685-91-631 % similar Diethylpropionamide1114-51-830 % similar N,N-Diethylurea634-95-730 % similar N,N-Diethyl-1,2,2-trichlorovinylamine686-10-230 % similar Diethylcarbamoyl chloride88-10-830 % similar Diethylthiocarbamoyl chloride88-11-930 % similar Tetraethylthiuram disulfide97-77-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dodecylguanidine hydrochloride13590-97-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook