CAS RN: 81709-36-6
2-(4-aminophenyl)-N,N-dimethylacetamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250706 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS81709-36-6
- Purity/Analytical Methods: >99.0%
81709-36-6 / 2-(4-aminophenyl)-N,N-dimethylacetamide
Basic Information
CAS
81709-36-6
Multi CAS
No
Molecular Formula
C10H14N2O
Molecular Weight
178.230000
Exact Mass
178.110613
InChI
InChI=1S/C10H14N2O/c1-12(2)10(13)7-8-3-5-9(11)6-4-8/h3-6H,7,11H2,1-2H3
InChIKey
HKWHCRLGBUCCTI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.25
TPSA
46.33
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
0.6
Consensus LogP
0.76
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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