![CAS 196200-04-1 CARBAMIC ACID, [2-(DIMETHYLAMINO)ETHYL]-, 1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/196200-04-1.gif)
CAS RN: 196200-04-1
CARBAMIC ACID, [2-(DIMETHYLAMINO)ETHYL]-, 1,1-DIMETHYLETHYL ESTER
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.20251227 | 2g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS196200-04-1
- Purity/Analytical Methods: >99.0%
196200-04-1 / tert-butyl N-[2-(dimethylamino)ethyl]carbamate
Basic Information
CAS
196200-04-1
Multi CAS
No
Molecular Formula
C9H20N2O2
Molecular Weight
188.270000
Exact Mass
188.152478
SMILES
CC(C)(C)OC(=O)NCCN(C)C
InChI
InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)10-6-7-11(4)5/h6-7H2,1-5H3,(H,10,12)
InChIKey
HWHUFUKKMFBZGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.79
TPSA
41.57
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
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)
-3.11
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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