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CAS 124257-63-2 (1-Benzyl-1,2,5,6-tetrahydropyridin-3-yl)methanamine molecular structure lightbox
CAS RN: 124257-63-2

(1-Benzyl-1,2,5,6-tetrahydropyridin-3-yl)methanamine

  • Product code: SSC-028159
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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 124257-63-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

124257-63-2 / (1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methanamine

Standard CAS: 124257-63-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124257-63-2
Multi CAS
No
Molecular Formula
C13H18N2
Molecular Weight
202.300000
Exact Mass
202.146999
SMILES
C1CN(CC(=C1)CN)CC2=CC=CC=C2
InChI
InChI=1S/C13H18N2/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-7H,4,8-11,14H2
InChIKey
ANFFEGIUXFJRJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.47
TPSA
29.26

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
0.9
Consensus LogP
1.41
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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