CAS RN: 1220037-24-0
N-(tert-Butyl)-2-(methylamino)acetamidehydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1220037-24-0
- Purity/Analytical Methods: >99.0%
1220037-24-0 / N-tert-butyl-2-(methylamino)acetamide;hydrochloride
Basic Information
CAS
1220037-24-0
Multi CAS
No
Molecular Formula
C7H17ClN2O
Molecular Weight
180.670000
Exact Mass
180.102941
SMILES
CC(C)(C)NC(=O)CNC.Cl
InChI
InChI=1S/C7H16N2O.ClH/c1-7(2,3)9-6(10)5-8-4;/h8H,5H2,1-4H3,(H,9,10);1H
InChIKey
SKWATROUZYJYJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.07
TPSA
41.13
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.54
Consensus LogP
0.52
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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