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CAS 10406-25-4 4-Cyanobenzylamine molecular structure lightbox
CAS RN: 10406-25-4

4-Cyanobenzylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250319 1g / 5g / 10g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong 5-7 business days Inquiry
  • Product code: SSC-005829
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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: 25g
  • 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 10406-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

10406-25-4 / 4-(aminomethyl)benzonitrile

4-(Aminomethyl)benzonitrile | 4-Cyanobenzylamine | Benzonitrile, 4-(aminomethyl)-

Standard CAS: 10406-25-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10406-25-4
Multi CAS
Yes
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
SMILES
C1=CC(=CC=C1CN)C#N
InChI
InChI=1S/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2
InChIKey
LFIWXXXFJFOECP-UHFFFAOYSA-N
Synonyms
4-(Aminomethyl)benzonitrile 4-Cyanobenzylamine Benzonitrile, 4-(aminomethyl)- p-cyanobenzylamine SG5W3N5HYJ

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
0.9
Consensus LogP
0.94
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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