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CAS 2052-46-2 N,N-DIMETHYL-P-PHENYLENEDIAMINE MONOHYDROCHLORIDE molecular structure lightbox
CAS RN: 2052-46-2

N,N-DIMETHYL-P-PHENYLENEDIAMINE MONOHYDROCHLORIDE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 1g / 5g / 25g / 100g Confirm by inquiry Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250528 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: SSC-096539
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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: ≥95%
  • 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 2052-46-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

2052-46-2 / 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride

Standard CAS: 2052-46-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2052-46-2
Multi CAS
No
Molecular Formula
C8H13ClN2
Molecular Weight
172.650000
Exact Mass
172.076726
SMILES
CN(C)C1=CC=C(C=C1)N.Cl
InChI
InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
InChIKey
KTWNIUBGGFBRKH-UHFFFAOYSA-N

Physical Properties

Physical Description
Grey crystalline solid; Hygroscopic
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.43
TPSA
29.26

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
1.76
Consensus LogP
1.69
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.53

Drug-likeness / Medicinal Chemistry

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

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