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CAS 872362-62-4 N-HYDROXY-2,3-DIMETHYL-BENZAMIDINE molecular structure lightbox
CAS RN: 872362-62-4

N-HYDROXY-2,3-DIMETHYL-BENZAMIDINE

  • Product code: SSC-196990
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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: 5g
  • 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 872362-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

872362-62-4 / N'-hydroxy-2,3-dimethylbenzenecarboximidamide

Standard CAS: 872362-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
872362-62-4
Multi CAS
Yes
Molecular Formula
C9H12N2O
Molecular Weight
164.200000
Exact Mass
164.094963
InChI
InChI=1S/C9H12N2O/c1-6-4-3-5-8(7(6)2)9(10)11-12/h3-5,12H,1-2H3,(H2,10,11)
InChIKey
QRRKPMZRWWKUAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.43
TPSA
58.61

LogP / Solubility

WLOGP
1.4
MLOGP
1.23
XLogP3
1.8
Consensus LogP
1.48
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
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)
-2.73

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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