Hexetidine supplier | CasNO.141-94-6

Name
Hexetidine
EINECS 205-513-5
CAS No. 141-94-6
Density 0.874 g/cm³
Solubility Not miscible or difficult to mix in water.
Melting Point 25°C
Formula C₂₁H₄₅N₃
Boiling Point 388.2°Cat760mmHg
Molecular Weight 339.608
Flash Point 175 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/38-36/37/38
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine,5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl- (6CI,7CI,8CI);1,3-Bis(b-ethylhexyl)-5-methyl-5-aminohexahydropyrimidine;5-Amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine;5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine;5-Amino-1,3-bis(b-ethylhexyl)-5-methylhexahydropyrimidine;5-Amino-1,3-di(b-ethylhexyl)hexahydro-5-methylpyrimidine;Elsix;Glypesin;Hexigel;Hexocil;Hexoral;Hextril;NSC 17764;Oraldene;Steri/Sol;Sterilate;Sterisil;Triocil;Triscol;5-Pyrimidinamine,1,3-bis(2-ethylhexyl)hexahydro-5-methyl-;
PSA 32.50000
LogP 5.28780

Synthetic route

: 56672-87-8
1,3-bis-(2-ethyl-hexyl)-5-methyl-5-nitro-hexahydro-pyrimidine

: 141-94-6
hexetidine

Conditions

Conditions	Yield
With methanol; nickel at 100℃; under 51485.6 Torr; Hydrogenation;

: 141-94-6
hexetidine

: 69-72-7
salicylic acid

: 1220976-09-9
hexetidinium salicylate

Conditions

Conditions	Yield
In acetone at 20℃; for 2h;	99%

: 50-00-0
formaldehyd

: 141-94-6
hexetidine

: 5980-31-4
Hexedin

Conditions

Conditions	Yield
In methanol for 16h; Heating;	92%

: 141-94-6
hexetidine

: 3687-16-9
triamin

Conditions

Conditions	Yield
With sulfuric acid for 2h; Ambient temperature;	21%
In water Kinetics; Mechanism; buffer pH < 5.5; investigation of equilibrium and order of react. at var. temp. - stability optimum;

: 141-94-6
hexetidine

: 5980-31-4
Hexedin

Conditions

Conditions	Yield
In water Kinetics; Mechanism; buffer pH > 5.5; investigation of equilibrium and order of react. at var. temp. - stability optimum;

Hexetidine Specification

The Hexetidine, with the CAS registry number 141-94-6, is also known as 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5 methylpyrimidine. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals.Its EINECS number is 205-513-5.This chemical's molecular formula is C₂₁H₄₅N₃ and molecular weight is 339.60. What's more,Its systematic name is Hexetidine. It is a bactericidal and fungicidal antiseptic. It is used as a 0.1% mouthwash for local infections and oral hygiene.The Hexetidine is a viscous oil, Soluble in water, ethyl ether, methanol and benzene and other organic solvents. It is used in the treatment of trichomoniasis, read aureus infection and mixed bacteria vaginitis, pharyngitis, tonsillitis, bad breath, also can be used for animal fungal and bacterial infections of the skin.

Physical properties about Hexetidine are:
(1)ACD/LogP: 8.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.05; (4)ACD/LogD (pH 7.4): 6.44; (5)ACD/BCF (pH 5.5): 794.89; (6)ACD/BCF (pH 7.4): 19421.19; (7)ACD/KOC (pH 5.5): 598.53; (8)ACD/KOC (pH 7.4): 14623.55; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.467; (13)Molar Refractivity: 107.911 cm³; (14)Molar Volume: 388.552 cm³; (15)Surface Tension: 30.9379997253418 dyne/cm; (16)Density: 0.874 g/cm³; (17)Flash Point: 174.967 °C; (18)Enthalpy of Vaporization: 63.74 kJ/mol; (19)Boiling Point: 388.228 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Safety Information of Hexetidine:
The Hexetidine is irritating to eyes, respiratory system and skin.When you use it ,wear suitable protective clothing.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES:N1(CC(N)(CN(CC(CCCC)CC)C1)C)CC(CC)CCCC;
(2)Std. InChI: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,6-18,22H2,1-5H3;
(3)Std. InChIKey:DTOUUUZOYKYHEP-UHFFFAOYSA-N.

Product Name

Hexetidine

Synthetic route

Hexetidine Specification

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