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CAS 90874-60-5 2-AMINO-3′,4′-DIMETHYL-ACETOPHENONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 90874-60-5

2-AMINO-3′,4′-DIMETHYL-ACETOPHENONE HYDROCHLORIDE

  • Product code: SSC-203569
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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: 1g
  • 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 90874-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

90874-60-5 / 2-amino-1-(3,4-dimethylphenyl)ethanone;hydrochloride

Standard CAS: 90874-60-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90874-60-5
Multi CAS
Yes
Molecular Formula
C10H14CLNO
Molecular Weight
199.680000
Exact Mass
199.076392
InChI
InChI=1S/C10H13NO.ClH/c1-7-3-4-9(5-8(7)2)10(12)6-11;/h3-5H,6,11H2,1-2H3;1H
InChIKey
LUTAAOZVXQNAFI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.55
TPSA
43.09

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.87
Consensus LogP
1.79
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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