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CAS 10108-91-5 dimethylditetradecylammonium chloride molecular structure lightbox
CAS RN: 10108-91-5

dimethylditetradecylammonium chloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250727 100mg In stock Shanghai Inquiry
Batchno.20250411 1g In stock Shanghai Inquiry
Batchno.20260606 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS10108-91-5
  • Purity/Analytical Methods: >99.0%
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10108-91-5 / dimethyl-di(tetradecyl)azanium chloride

DIMETHYLDITETRADECYLAMMONIUM CHLORIDE | Dimethyldimyristylammonium chloride | Dimyristyldimonium chloride

Standard CAS: 10108-91-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10108-91-5
Multi CAS
No
Molecular Formula
C30H64ClN
Molecular Weight
474.300000
Exact Mass
473.472729
SMILES
CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]
InChI
InChI=1S/C30H64N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1
InChIKey
RSHHCURRBLAGFA-UHFFFAOYSA-M
Synonyms
DIMETHYLDITETRADECYLAMMONIUM CHLORIDE Dimethyldimyristylammonium chloride Dimyristyldimonium chloride 1-Tetradecanaminium, N,N-dimethyl-N-tetradecyl-, chloride (1:1) UNII-THH5QTL9Z8

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
1
Rotatable bonds
26
H-bond acceptors
1
Molar refractivity
144
TPSA
0.0000

LogP / Solubility

WLOGP
7.47
MLOGP
6.61
XLogP3
7.47
Consensus LogP
7.18
Log S (ESOL)
-5.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501

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