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CAS 29450-12-2 N-(2-methoxyethyl)pyridin-2-amine molecular structure lightbox
CAS RN: 29450-12-2

N-(2-methoxyethyl)pyridin-2-amine

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260217 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINN908862
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29450-12-2 / N-(2-methoxyethyl)pyridin-2-amine

Standard CAS: 29450-12-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29450-12-2
Multi CAS
No
Molecular Formula
C8H12N2O
Molecular Weight
152.190000
Exact Mass
152.094963
InChI
InChI=1S/C8H12N2O/c1-11-7-6-10-8-4-2-3-5-9-8/h2-5H,6-7H2,1H3,(H,9,10)
InChIKey
HZEABVMPVQAGFY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.6
TPSA
34.15

LogP / Solubility

WLOGP
1.14
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-2.84

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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