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CAS 21436-96-4 2,4-Dimethylaniline Hydrochloride molecular structure lightbox
CAS RN: 21436-96-4

2,4-Dimethylaniline Hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-102767
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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: 25g
  • 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 21436-96-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

21436-96-4 / 2,4-dimethylaniline;hydrochloride

Standard CAS: 21436-96-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21436-96-4
Multi CAS
No
Molecular Formula
C8H12ClN
Molecular Weight
157.640000
Exact Mass
157.065827
SMILES
CC1=CC(=C(C=C1)N)C.Cl
InChI
InChI=1S/C8H11N.ClH/c1-6-3-4-8(9)7(2)5-6;/h3-5H,9H2,1-2H3;1H
InChIKey
HFXISSJBRAPVLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.58
TPSA
26.02

LogP / Solubility

WLOGP
2.31
MLOGP
2.03
XLogP3
2.31
Consensus LogP
2.22
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.04

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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