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CAS 62654-07-3 N,N-Dimethyl-o-phenylenediamine dihydrochloride molecular structure lightbox
CAS RN: 62654-07-3

N,N-Dimethyl-o-phenylenediamine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS62654-07-3
  • Purity/Analytical Methods: >99.0%
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62654-07-3 / 2-N,2-N-dimethylbenzene-1,2-diamine;dihydrochloride

Standard CAS: 62654-07-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
62654-07-3
Multi CAS
Yes
Molecular Formula
C8H14CL2N2
Molecular Weight
209.110000
Exact Mass
208.053404
InChI
InChI=1S/C8H12N2.2ClH/c1-10(2)8-6-4-3-5-7(8)9;;/h3-6H,9H2,1-2H3;2*1H
InChIKey
MBRKSKWYAIWADJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.68
TPSA
29.26

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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)
-2.45

Drug-likeness / Medicinal Chemistry

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

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