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CAS 156813-22-8 2,6-Pyridinedimethanamine, N2,N2,N6,N6-tetramethyl- molecular structure lightbox
CAS RN: 156813-22-8

2,6-Pyridinedimethanamine, N2,N2,N6,N6-tetramethyl-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260526 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS156813-22-8
  • Purity/Analytical Methods: >99.0%
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156813-22-8 / 1-[6-[(dimethylamino)methyl]-2-pyridinyl]-N,N-dimethylmethanamine

Standard CAS: 156813-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
156813-22-8
Multi CAS
No
Molecular Formula
C11H19N3
Molecular Weight
193.290000
Exact Mass
193.157898
SMILES
CN(C)CC1=NC(=CC=C1)CN(C)C
InChI
InChI=1S/C11H19N3/c1-13(2)8-10-6-5-7-11(12-10)9-14(3)4/h5-7H,8-9H2,1-4H3
InChIKey
MGYGVVVDLZIDTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
59.02
TPSA
19.37

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.6
Consensus LogP
0.95
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.04

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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