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CAS 7356-54-9 3,4-dimethylaniline molecular structure lightbox
CAS RN: 7356-54-9

3,4-dimethylaniline

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 250mg / 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7356-54-9
  • Purity/Analytical Methods: >99.0%
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7356-54-9 / 3,4-dimethylaniline;hydrochloride

Standard CAS: 7356-54-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7356-54-9
Multi CAS
Yes
Molecular Formula
C8H12CLN
Molecular Weight
157.640000
Exact Mass
157.065827
InChI
InChI=1S/C8H11N.ClH/c1-6-3-4-8(9)5-7(6)2;/h3-5H,9H2,1-2H3;1H
InChIKey
OYZCOOMMDVDZNW-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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