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CAS 344957-25-1 2-CYANOBENZYLAMINE molecular structure lightbox
CAS RN: 344957-25-1

2-CYANOBENZYLAMINE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260613 100mg In stock Inquiry
Batchno.20250519 1g In stock Inquiry
Batchno.20250306 250mg In stock Inquiry
Batchno.20260428 5g In stock Inquiry
  • Product code: SSC-140969
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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: >97%
  • 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 344957-25-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

344957-25-1 / 2-(aminomethyl)benzonitrile

Standard CAS: 344957-25-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
344957-25-1
Multi CAS
No
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
InChI
InChI=1S/C8H8N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5,9H2
InChIKey
IQKCOMKWSLYAHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.05
TPSA
49.81

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.7
Consensus LogP
0.87
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
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)
-2.8

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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