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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)
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: 623.83
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:
Melting Point: 215-217 °C
Boiling Point: 609.3 °C at 760 mmHg
Flash Point: 322.3 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
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 70775-75-6 Most competitive

  • Casno:

    70775-75-6

    OCTENIDINE DIHYDROCHLORIDE 70775-75-6 Most competitive

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0/Kilogram

    Synonyms: N,N'-(decane-1,10-diyldi-1(4H)-pyridyl-4-ylidene)bis(octylammonium) dichloride;Octenidine hydrochloride;OCTENIDINE DIHYDROCHLORIDE;N,N'-(1,10-Decanediyldi-1(4H)-pyridinyl-4-ylidene)bis(1-octanamine) dihydrochloride;N,N'-(1,10-

    SHANGHAI MINSTAR CHEMICAL CO., LTD. is a leading, experienced, professional supplier of API & intermediates, plant extract, food additive, fine chemicals and industry chemicals, et

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  • Octenidine Dihydrochloride

  • Casno:

    70775-75-6

    Octenidine Dihydrochloride

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Packing: According to customer requirements Delivery time: In stock or depands Port of shipment: Ningbo/Shanghai/Qingdao OEM/ODM:Welcome Sample:We can offer our existing samples at once Transportation:Express/Sea/Air Port:Ningbo/Shanghai/Qingd

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    Address:Room 622, Building 11, Yifeng City, Nanyuan Street, Yuhang District

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  • Octenidine dihydrochloride

  • Casno:

    70775-75-6

    Octenidine dihydrochloride

    Min.Order: 1 Gram

    FOB Price:  USD $ 1.0-2.0/Gram

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    Tel:86-15158040660

    Address:Xiaoshan district

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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