[email protected]
CAS 4534-11-6 3-METHYL-4-ISOPROPYLANILINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 4534-11-6

3-METHYL-4-ISOPROPYLANILINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250323 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-153087
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 4534-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

4534-11-6 / 3-methyl-4-propan-2-ylaniline;hydrochloride

Standard CAS: 4534-11-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4534-11-6
Multi CAS
Yes
Molecular Formula
C10H16CLN
Molecular Weight
185.690000
Exact Mass
185.097127
InChI
InChI=1S/C10H15N.ClH/c1-7(2)10-5-4-9(11)6-8(10)3;/h4-7H,11H2,1-3H3;1H
InChIKey
VPOAQDSAPBSOLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.93
TPSA
26.02

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-1.64

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

Customers Also Viewed

Get In Touch

Contact Us