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CAS 106940-10-7 3-Pyridinemethanamine 1-oxide molecular structure lightbox
CAS RN: 106940-10-7

3-Pyridinemethanamine 1-oxide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251223 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008430
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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: ≥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 106940-10-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

106940-10-7 / (1-oxidopyridin-1-ium-3-yl)methanamine

3-Aminomethylpyridine-N-oxide | 3-Pyridinemethanamine 1-oxide | 3-(AMINOMETHYL)PYRIDIN-1-IUM-1-OLATE

Standard CAS: 106940-10-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106940-10-7
Multi CAS
Yes
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
C1=CC(=C[N+](=C1)[O-])CN
InChI
InChI=1S/C6H8N2O/c7-4-6-2-1-3-8(9)5-6/h1-3,5H,4,7H2
InChIKey
OBULFLYPLSCKRW-UHFFFAOYSA-N
Synonyms
3-Aminomethylpyridine-N-oxide 3-Pyridinemethanamine 1-oxide 3-(AMINOMETHYL)PYRIDIN-1-IUM-1-OLATE 3-(Aminomethyl)pyridine 1-oxide (1-oxidopyridin-1-ium-3-yl)methanamine

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.29
TPSA
52.96

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-1.3
Consensus LogP
-0.57
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
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)
-3.63

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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