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CAS 793-24-8 N-(1,3-Dimethylbutyl)-N’-phenyl-1,4-phenylenediamine molecular structure lightbox
CAS RN: 793-24-8

N-(1,3-Dimethylbutyl)-N’-phenyl-1,4-phenylenediamine

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250513 2.5kg In stock Shanghai Inquiry
Batchno.20250703 25g In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20250621 500g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250930 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTD3331
  • Purity/Analytical Methods: >98.0%(GC)
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793-24-8 / 4-N-(4-methylpentan-2-yl)-1-N-phenylbenzene-1,4-diamine

Standard CAS: 793-24-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
793-24-8
Multi CAS
No
Molecular Formula
C18H24N2
Molecular Weight
268.400000
Exact Mass
268.193949
InChI
InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3
InChIKey
ZZMVLMVFYMGSMY-UHFFFAOYSA-N

Physical Properties

Melting Point
113.4 to 113.9 °F (NTP, 1992) 50 °C 45-48 °C
Boiling Point
500 °F at 760 mmHg (NTP, 1992) 370 °C (calculated)
Density
1.1 (NTP, 1992) - Denser than water; will sink 1.07 1.02 g/cm³ Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00
Physical Description
N-(1,3-dimethylbutyl)-n'-phenyl-p-phenylenediamine is a purple flakes. (NTP, 1992) Pellets or Large Crystals, Liquid; Pellets or Large Crystals, Other Solid; Pellets or Large Crystals; Liquid, Other Solid; Other Solid; Dry Powder Dark violet solid; [HSDB] Brown to violet solid; Turns dark brown on light exposure; [ICSC] BROWN-TO-VIOLET SOLID IN VARIOUS FORMS. TURNS DARK BROWN ON EXPOSURE TO LIGHT.
Appearance
Dark, violet solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.71
TPSA
24.06

LogP / Solubility

WLOGP
5.28
MLOGP
4.65
XLogP3
5.6
Consensus LogP
5.18
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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