![CAS 208577-84-8 Carbamic acid, [2-[(2-hydroxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/208577-84-8.gif)
CAS RN: 208577-84-8
Carbamic acid, [2-[(2-hydroxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
- Product code: SSC-098028
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
208577-84-8 / tert-butyl N-[2-(2-hydroxyethylamino)ethyl]carbamate
Basic Information
CAS
208577-84-8
Multi CAS
No
Molecular Formula
C9H20N2O3
Molecular Weight
204.270000
Exact Mass
204.147393
SMILES
CC(C)(C)OC(=O)NCCNCCO
InChI
InChI=1S/C9H20N2O3/c1-9(2,3)14-8(13)11-5-4-10-6-7-12/h10,12H,4-7H2,1-3H3,(H,11,13)
InChIKey
CEBBCRUTQUIXBU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
54.19
TPSA
70.59
LogP / Solubility
WLOGP
0.09
MLOGP
0.08
XLogP3
-0.2
Consensus LogP
-0.01
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.3
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.9
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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