Hexetidine
Properties
- Molecular formula
- C21H45N3
- Molar mass
- 339.61 g/mol
- Exact mass
- 339.3613 Da
- Density
- 0.8889 g/mL (at 20 °C)
- Melting point
- below 25 °C
- Boiling point
- 160 °C
- pKa
- 8.3
- logP
- 4.71Crippen estimate
- Polar surface area
- 32.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 12
Hazards
Warning
- H302 Harmful if swallowed12.2% of notifiers
- H312 Harmful in contact with skin12.2% of notifiers
- H315 Causes skin irritation95.9% of notifiers
- H319 Causes serious eye irritation95.9% of notifiers
- H332 Harmful if inhaled12.2% of notifiers
- H335 May cause respiratory irritation87.8% of notifiers
Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
141-94-6SMILES
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1InChIKey
DTOUUUZOYKYHEP-UHFFFAOYSA-NInChI
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
22 names · show all
- 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
- Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
- 1,3-Bis(2-ethylhexyl)hexahydro-5-methyl-5-pyrimidinamine
- 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine
- 5-Amino-1,3-bis(β-ethylhexyl)-5-methylhexahydropyrimidine
- 5-Amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine
- 5-Amino-1,3-di(β-ethylhexyl)hexahydro-5-methylpyrimidine
- 1,3-Bis(β-ethylhexyl)-5-methyl-5-aminohexahydropyrimidine
- Sterilate
- Sterisil
- Triscol
- Hextril
- Oraldene
- Hexoral
- Glypesin
- Triocil
- Steri/sol
- Elsix
- Hexigel
- Hexocil
- NSC 17764
- Hexopyrimidine
Work with Hexetidine
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
Tris(2-ethylhexyl)amine1860-26-059 % similar
2-Ethylhexylamine104-75-642 % similar
Di(2-ethylhexyl)ether10143-60-941 % similar
Dichlorobis(2-ethylhexyl)silane1089687-03-539 % similar
2-Ethylhexanol104-76-738 % similar
Bis(2-ethylhexyl)amine106-20-738 % similar
3-(Chloromethyl)heptane123-04-638 % similar
2-Ethylhexyl bromide18908-66-238 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds