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CAS 77755-81-8 N-(4-nitrophenyl)-4-morpholineethanamine molecular structure lightbox
CAS RN: 77755-81-8

N-(4-nitrophenyl)-4-morpholineethanamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS77755-81-8
  • Purity/Analytical Methods: >99.0%
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77755-81-8 / N-(2-morpholin-4-ylethyl)-4-nitroaniline

Standard CAS: 77755-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
77755-81-8
Multi CAS
No
Molecular Formula
C12H17N3O3
Molecular Weight
251.280000
Exact Mass
251.126991
InChI
InChI=1S/C12H17N3O3/c16-15(17)12-3-1-11(2-4-12)13-5-6-14-7-9-18-10-8-14/h1-4,13H,5-10H2
InChIKey
NWUVRJDVZZNZGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.85
TPSA
67.64

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.4
Consensus LogP
1.31
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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