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70775-75-6

Basic Information
CAS No.: 70775-75-6
Name: N,N'-(decane-1,10-diyldi-1(4H)-pyridyl-4-ylidene)bis(octylammonium) dichloride
Article Data: 3
Molecular Structure:
Molecular Structure of 70775-75-6 (N,N'-(decane-1,10-diyldi-1(4H)-pyridyl-4-ylidene)bis(octylammonium) dichloride)
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
Synthetic route

1,10-bis-(4-chloropyridin-1 (4H)-yl)decane

142-95-0

n-octylamine hydrochloride

70775-75-6

octenidine dihydrochloride

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 160℃; Inert atmosphere;94.2%
2162-98-3

1,10-dichlorodecane

64690-19-3

4-(octylamino)pyridine

70775-75-6

octenidine dihydrochloride

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

N,N'-(1,10 decanediyldi-1[4H]-pyridinyl-4-ylidene)-bis-(1-octanamine)

Conditions
ConditionsYield
With sodium hydroxide In water; toluene at 20 - 30℃;14.5 g
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    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Established in May 2015, TaiChem Ltd. is initially invested by a British research and development company and started by PhDs back from aboard. The company is registered in China Medical City (CMC), Taizhou, Jiangsu Province, and the production site

    TaiChem was established in 2015 and registered in China medical city - Taizhou, Jiangsu Province. The company has about 1800 square meters of class A plant facility. TaiChem focuse

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  • Pharmaceutical API Octenidine dihydrochloride Powder CAS 70775-75-6

  • Casno:

    70775-75-6

    Pharmaceutical API Octenidine dihydrochloride Powder CAS 70775-75-6

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 8.2-8.8

    1. A strong scientific research team . 2. Stable quality (with a complete scientific research center and testing center to ensure the quality stability of each batch of products). 3. Rich export experience (with practical experience in exporting to m

    Hebei Kunsui Technology Co., Ltd. specializes in exporting high quality Pharmaceutical raw materials, medical devices, plant extract, pesticide raw materials and Chemical raw mate

  •  Hebei Kunsui Technology Co., Ltd.

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+8613343103587

    Address:Shijiazhuang City, Hebei Province

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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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