Dodecylguanidine hydrochloride

C₁₃H₃₀ClN₃CAS 13590-97-1263.85 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₃₀ClN₃
Molar mass: 263.85 g/mol
Exact mass: 263.2128 Da
logP: 3.81Crippen estimate
Polar surface area: 61.9 Å²
H-bond donors / acceptors: 3 / 1
Rotatable bonds: 11

Hazards

Danger

H226 Flammable liquid and vapor20.1% of notifiers
H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage86.4% of notifiers
H330 Fatal if inhaled99.5% of notifiers
H400 Very toxic to aquatic life99.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects97.8% of notifiers

Aggregated from 184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

13590-97-1

SMILES

CCCCCCCCCCCCNC(=N)N.Cl

InChIKey

CGMKPKRNUNDACU-UHFFFAOYSA-N

InChI

InChI=1S/C13H29N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;/h2-12H2,1H3,(H4,14,15,16);1H

Weigh it out

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

Names and synonyms

4 names

Guanidine, N-dodecyl-, hydrochloride (1:1)
Guanidine, dodecyl-, monohydrochloride
N-Dodecylguanidine hydrochloride
Metasol DGH

Work with Dodecylguanidine 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.

Dodine2439-10-3Salt

Similar compounds

Iminoctadine13516-27-362 % similar N-Octadecylurea2158-08-957 % similar Octylthiourea13281-03-352 % similar 1-Hexyl-2-thiourea21071-27-252 % similar 1,4-Diguanidinobutane sulfate14923-17-249 % similar Butylurea592-31-448 % similar L-Homoarginine hydrochloride1483-01-848 % similar Ethyl-Nalpha-lauroyl-L-arginate hydrochloride60372-77-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexaethylguanidinium chloride69082-76-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook