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CAS 37885-76-0 ETHYL 2-(TERT-BUTYLAMINO)ACETATE molecular structure lightbox
CAS RN: 37885-76-0

ETHYL 2-(TERT-BUTYLAMINO)ACETATE

  • Product code: SSC-145325
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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 37885-76-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

37885-76-0 / ethyl 2-(tert-butylamino)acetate

Standard CAS: 37885-76-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
37885-76-0
Multi CAS
No
Molecular Formula
C8H17NO2
Molecular Weight
159.230000
Exact Mass
159.125929
InChI
InChI=1S/C8H17NO2/c1-5-11-7(10)6-9-8(2,3)4/h9H,5-6H2,1-4H3
InChIKey
ASVKBSWWRBCOBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.39
TPSA
38.33

LogP / Solubility

WLOGP
0.94
MLOGP
0.82
XLogP3
1.1
Consensus LogP
0.95
Log S (ESOL)
-1.22
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
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)
-3.03

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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