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CAS 38668-48-3 Diisopropanol-p-toluidine molecular structure lightbox
CAS RN: 38668-48-3

Diisopropanol-p-toluidine

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Inquiry
Batchno.20250102 2.5kg In stock Inquiry
Batchno.20250629 500g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 100g In stock Shanghai, Shandong Inquiry
Batchno.20260101 2.5kg In stock Shanghai Inquiry
Batchno.20250731 500g In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS38668-48-3
  • Purity/Analytical Methods: >99.0%
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38668-48-3 / 1-[N-(2-hydroxypropyl)-4-methylanilino]propan-2-ol

Standard CAS: 38668-48-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
38668-48-3
Multi CAS
Yes
Molecular Formula
C13H21NO2
Molecular Weight
223.310000
Exact Mass
223.157229
InChI
InChI=1S/C13H21NO2/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3
InChIKey
JFZVSHAMRZPOPA-UHFFFAOYSA-N

Physical Properties

Physical Description
Other Solid; Liquid; Water or Solvent Wet Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.75
TPSA
43.7

LogP / Solubility

WLOGP
1.56
MLOGP
1.38
XLogP3
1.9
Consensus LogP
1.61
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

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

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