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70775-75-6

Basic Information
CAS No.: 70775-75-6
Name: 1-Octanamine,N,N'-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, hydrochloride (1:2)
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 70775-75-6 (1-Octanamine,N,N'-(1,10-decanediyldi-1(4H)-pyridinyl-4-ylidene)bis-, hydrochloride (1:2))
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: N/A
Melting Point: 215-217 °C
Boiling Point: 609.3 °C at 760 mmHg
Flash Point: 322.3 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
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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  • Octenidine dihydrochloride

  • Casno:

    70775-75-6

    Octenidine dihydrochloride

    Min.Order: 1 Gram

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    Massive Chemical is certified with ISO9001 and ISO14001 manufacturer for this product. We will offer all documents as requirement for the materials which includes, Certificate of Analysis, Material Safety Data Sheet, and Method of Analysis and

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  • Octenidine dihydrochloride

  • Casno:

    70775-75-6

    Octenidine dihydrochloride

    Min.Order: 25 Kilogram

    FOB Price:  USD $ 115.0-170.0/Kilogram

    Hebei Xixun Trading Co., Ltd. is a company specializing in the production, R&D and sales of chemical products. Our main products include pharmaceutical products, food additives, organics, and cosmetic raw materials. Because of high-quality produc

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  • Octenidine hydrochloride CAS NO. 70775-75-6

  • Casno:

    70775-75-6

    Octenidine hydrochloride CAS NO. 70775-75-6

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 10.0-10.0/Kilogram

    Our Service: 1. Mixed container: We can mix different items in one container. 2. Quality control: Before shipment, we can provide free sample for test. Inspection before shipping. 3. Packing: We can pack according to your requirements and also

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  • Octenidine hydrochloride

  • Casno:

    70775-75-6

    Octenidine hydrochloride

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 1.0-1.0/Kilogram

    Product Name Octenidine hydrochloride CAS 70775-75-6 EINECS 274-861-8 Molecular Formula C36H62N4.2(HCl) Appearance: White powder Sto

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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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