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CAS 765962-01-4 Carbamic acid, [2-[(2-methoxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 765962-01-4

Carbamic acid, [2-[(2-methoxyethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)

  • Product code: SSC-186007
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 765962-01-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

765962-01-4 / tert-butyl N-[2-(2-methoxyethylamino)ethyl]carbamate

Standard CAS: 765962-01-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
765962-01-4
Multi CAS
No
Molecular Formula
C10H22N2O3
Molecular Weight
218.290000
Exact Mass
218.163043
InChI
InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12-6-5-11-7-8-14-4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKey
YXPYESCISOJFEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.98
TPSA
59.59

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.42
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)
-3.52

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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