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CAS 259180-78-4 “tert-butyl 2-(2-aMinoethyl)Morpholine-4-carboxylate” molecular structure lightbox
CAS RN: 259180-78-4

“tert-butyl 2-(2-aMinoethyl)Morpholine-4-carboxylate”

  • Product code: SSC-122612
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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: 0.1g, 0.25g, 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 259180-78-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

259180-78-4 / tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate

Standard CAS: 259180-78-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259180-78-4
Multi CAS
No
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)CCN
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4-8,12H2,1-3H3
InChIKey
MKXWMSTYBUMLOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.22
TPSA
64.79

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
0.2
Consensus LogP
0.68
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-3.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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