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CAS 2038-05-3 N-Benzyl-2-MorpholinoethanaMine molecular structure lightbox
CAS RN: 2038-05-3

N-Benzyl-2-MorpholinoethanaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS2038-05-3
  • Purity/Analytical Methods: >99.0%
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2038-05-3 / N-benzyl-2-morpholin-4-ylethanamine

Standard CAS: 2038-05-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2038-05-3
Multi CAS
No
Molecular Formula
C13H20N2O
Molecular Weight
220.310000
Exact Mass
220.157563
SMILES
C1COCCN1CCNCC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c1-2-4-13(5-3-1)12-14-6-7-15-8-10-16-11-9-15/h1-5,14H,6-12H2
InChIKey
MSFAUJOUPQMLNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.41
TPSA
24.5

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
1
Consensus LogP
1.03
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-3.28

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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