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CAS 20680-59-5 3-Methylbenzenecarboximidamide hydrochloride molecular structure lightbox
CAS RN: 20680-59-5

3-Methylbenzenecarboximidamide hydrochloride

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250805 1g In stock Shanghai Inquiry
Batchno.20251013 250mg In stock Shanghai Inquiry
Batchno.20251111 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20260524 25g In stock Shanghai Inquiry
Batchno.20260106 5g In stock Shanghai Inquiry
  • Product code: SSC-097393
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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 20680-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

20680-59-5 / 3-methylbenzenecarboximidamide;hydrochloride

Standard CAS: 20680-59-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20680-59-5
Multi CAS
No
Molecular Formula
C8H11ClN2
Molecular Weight
170.640000
Exact Mass
170.061076
SMILES
CC1=CC(=CC=C1)C(=N)N.Cl
InChI
InChI=1S/C8H10N2.ClH/c1-6-3-2-4-7(5-6)8(9)10;/h2-5H,1H3,(H3,9,10);1H
InChIKey
QEAXZIMXYPAZAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
49.44
TPSA
49.87

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.7
Consensus LogP
1.63
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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)
-2.55

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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