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CAS 1820581-03-0 (R)-C-(4-Methyl-morpholin-3-yl)-methylamine molecular structure lightbox
CAS RN: 1820581-03-0

(R)-C-(4-Methyl-morpholin-3-yl)-methylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251115 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1820581-03-0
  • Purity/Analytical Methods: >99.0%
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1820581-03-0 / [(3R)-4-methylmorpholin-3-yl]methanamine

Standard CAS: 1820581-03-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1820581-03-0
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
SMILES
CN1CCOC[C@H]1CN
InChI
InChI=1S/C6H14N2O/c1-8-2-3-9-5-6(8)4-7/h6H,2-5,7H2,1H3/t6-/m1/s1
InChIKey
SDKGAFHSAMMJKY-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.29
TPSA
38.49

LogP / Solubility

WLOGP
-0.72
MLOGP
-0.65
XLogP3
-1
Consensus LogP
-0.79
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.03
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.03

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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