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CAS 86967-55-7 MORPHOLIN-3-YL-ACETIC ACID HYDROCHLORIDE molecular structure lightbox
CAS RN: 86967-55-7

MORPHOLIN-3-YL-ACETIC ACID HYDROCHLORIDE

  • Product code: SSC-196325
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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: ＞97%
  • 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 86967-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

86967-55-7 / 2-morpholin-3-ylacetic acid;hydrochloride

Standard CAS: 86967-55-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86967-55-7
Multi CAS
No
Molecular Formula
C6H12CLNO3
Molecular Weight
181.620000
Exact Mass
181.050571
InChI
InChI=1S/C6H11NO3.ClH/c8-6(9)3-5-4-10-2-1-7-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKey
LFOMNFLGCFFCQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.11
TPSA
58.56

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.13
Consensus LogP
-0.13
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.97
Class (SILICOS-IT)
Very 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)
-3.92

Drug-likeness / Medicinal Chemistry

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

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