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| CAS No.: | 70775-75-6 |
|---|---|
| Name: | N,N'-(decane-1,10-diyldi-1(4H)-pyridyl-4-ylidene)bis(octylammonium) dichloride |
| Article Data: | 3 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C36H64Cl2N4 |
| Molecular Weight: | 623.837 |
| Synonyms: | 1-Octanamine,N,N'-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, dihydrochloride (9CI);Neo Kodan;Octeniderm;Octenidine dihydrochloride;Win 41464-2; |
| EINECS: | 274-861-8 |
| Density: | 1.046[at 20℃] |
| Melting Point: | 215-217 °C |
| Boiling Point: | 609.3 °C at 760 mmHg |
| Flash Point: | 322.3 °C |
| Solubility: | 14.2g/L at 20℃ |
| PSA: | 31.82000 |
| LogP: | 3.78140 |
- 70775-88-1Amines,C12-14-tert-alkyl, stearates
- 70775-93-8Siloxanes andSilicones, di-Me, polymers with Me silsesquioxanes, reaction products with2-(2-methoxyethoxy)ethanol
- 70776-11-3Trimethylsiloxy, silica copolymer
- 70776-43-12-Propenoic acid, polymer with 2-ethylhexyl 2-propenoate, 2-hydroxyethyl 2-propenoate and methyl 2-propenoate
- 70776-57-7Oxirane, methyl-, polymer with oxirane, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1), polymer with alpha-hydro-omega-hydroxypoly(oxy(methyl-1,2-ethanediyl)) and 1,1-methylenebis(4-isocyanatocyclohexane)
- 70776-95-31,4-Benzenedicarboxylic acid, polymer with 2,5-furandione, hexanedioic acid, oxybis(propanol) and 1,2-propanediol
- 70-78-0L-Tyrosine, 3-iodo-
- 70783-32-3Ethanone,2,2,2-trifluoro-1-(4-phenoxyphenyl)-
- 70783-48-12-Furanmethanol, a-(trifluoromethyl)-
- 70783-75-4Phenol,2-chloro-4-(trifluoromethoxy)-
- 142-95-0
n-octylamine hydrochloride
- 70775-75-6
octenidine dihydrochloride
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 160℃; Inert atmosphere; | 94.2% |
| Conditions | Yield |
|---|---|
| In acetic acid butyl ester for 12h; Reflux; | 85.1% |
| In N,N-dimethyl-formamide at 120 - 180℃; | 39% |
| In water |
- 504-24-5
4-aminopyridine
- 70775-75-6
octenidine dihydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen; palladium 10% on activated carbon / ethanol / 80 °C / 2625.26 Torr 2: acetic acid butyl ester / 12 h / Reflux View Scheme |
- 124-13-0
Octanal
- 70775-75-6
octenidine dihydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen; palladium 10% on activated carbon / ethanol / 80 °C / 2625.26 Torr 2: acetic acid butyl ester / 12 h / Reflux View Scheme |
- 70775-75-6
octenidine dihydrochloride
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water; toluene at 20 - 30℃; | 14.5 g |
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- 1451-82-71-Propanone,2-bromo-1-(4-methylphenyl)-
- 705-60-2Benzene,(2-nitro-1-propen-1-yl)-
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
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Specification
The IUPAC name of Octenidine hydrochloride is N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine dihydrochloride. With the CAS registry number 70775-75-6, it is also named as 1,1'-Decamethylenebis(1,4-dihydro-4-(octylimino)pyridine) dihydrochloride. The product's classification codes are Anti-infective, Topical; Antimicrobial Agent. In addition, its molecular formula is C36H64Cl2N4 and its molecular weight is 623.82616.
The other characteristics of Octenidine hydrochloride can be summarized as: (1)EINECS: 274-861-8; (2)ACD/LogP: 10.78; (3)# of Rule of 5 Violations: 2; (4)ACD/LogD (pH 5.5): 7.78; (5)ACD/LogD (pH 7.4): 7.78; (6)ACD/BCF (pH 5.5): 92456.23; (7)ACD/BCF (pH 7.4): 92456.34; (8)ACD/KOC (pH 5.5): 17521.23; (9)ACD/KOC (pH 7.4): 17521.25; (10)H bond acceptors: 4; (11)H bond donors: 0; (12)Freely Rotating Bonds: 25; (13)Polar Surface Area: 31.2 Å2; (14)Flash Point: 322.3 °C; (15)Enthalpy of Vaporization: 90.51 kJ/mol; (16)Boiling Point: 609.3 °C at 760 mmHg; (17)Vapour Pressure: 8.66E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.N(=C1\C=C/N(/C=C1)CCCCCCCCCCN\2/C=C\C(=N\CCCCCCCC)/C=C/2)\CCCCCCCC
(2)InChI:InChI=1/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H
(3)InChIKey:SMGTYJPMKXNQFY-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H
(5)Std. InChIKey:SMGTYJPMKXNQFY-UHFFFAOYSA-N
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