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CAS 27854-96-2 methyl-pyridin-4-ylmethyl-amine molecular structure lightbox
CAS RN: 27854-96-2

methyl-pyridin-4-ylmethyl-amine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-128251
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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: 0.1g, 0.25g, 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 27854-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

27854-96-2 / 1-pyridin-4-ylethanamine

Standard CAS: 27854-96-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27854-96-2
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
SMILES
CC(C1=CC=NC=C1)N
InChI
InChI=1S/C7H10N2/c1-6(8)7-2-4-9-5-3-7/h2-6H,8H2,1H3
InChIKey
HIZMJYQEHFJWQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.84
TPSA
38.91

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.1
Consensus LogP
0.72
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-2.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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