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CAS 181130-14-3 2-Pyridinecarbonitrile,5-(aminomethyl)-(9CI) molecular structure lightbox
CAS RN: 181130-14-3

2-Pyridinecarbonitrile,5-(aminomethyl)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-082383
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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: 0.25g
  • 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 181130-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

181130-14-3 / 5-(aminomethyl)pyridine-2-carbonitrile

Standard CAS: 181130-14-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
181130-14-3
Multi CAS
No
Molecular Formula
C7H7N3
Molecular Weight
133.150000
Exact Mass
133.063997
SMILES
C1=CC(=NC=C1CN)C#N
InChI
InChI=1S/C7H7N3/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3,8H2
InChIKey
ZIFSWCUCJMIKQC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.84
TPSA
62.7

LogP / Solubility

WLOGP
0.41
MLOGP
0.35
XLogP3
-0.2
Consensus LogP
0.19
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very 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)
-3.24

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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