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CAS 5369-16-4 3-Isopropylaniline molecular structure lightbox
CAS RN: 5369-16-4

3-Isopropylaniline

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250730 100ml In stock Inquiry
Batchno.20250213 25ml In stock Inquiry
Batchno.20251108 5ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250518 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250419 1kg In stock Shanghai Inquiry
Batchno.20250719 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251113 500g In stock Shanghai, Wuhan Inquiry
Batchno.20251231 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 100ml In stock Shandong Inquiry
Batchno.20251026 25ml In stock Shanghai, Shandong Inquiry
Batchno.20251112 5ml In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-161058
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g, 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5369-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

5369-16-4 / 3-propan-2-ylaniline

Standard CAS: 5369-16-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5369-16-4
Multi CAS
Yes
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
InChI
InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
InChIKey
XCCNRBCNYGWTQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.94
TPSA
26.02

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.2
Consensus LogP
2.23
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-1.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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