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CAS 19690-13-2 (2-PYRIDIN-3-YLETHYL)METHYLAMINE molecular structure lightbox
CAS RN: 19690-13-2

(2-PYRIDIN-3-YLETHYL)METHYLAMINE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260628 50mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS19690-13-2
  • Purity/Analytical Methods: >99.0%
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19690-13-2 / N-methyl-2-pyridin-3-ylethanamine

Standard CAS: 19690-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19690-13-2
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CNCCC1=CN=CC=C1
InChI
InChI=1S/C8H12N2/c1-9-6-4-8-3-2-5-10-7-8/h2-3,5,7,9H,4,6H2,1H3
InChIKey
WKRUEUNOCVALAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.87
TPSA
24.92

LogP / Solubility

WLOGP
0.84
MLOGP
0.73
XLogP3
0.2
Consensus LogP
0.59
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.95

Drug-likeness / Medicinal Chemistry

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

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