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CAS 2137815-85-9 6-methylmorpholine-2-carboxylic acid hydrochloride molecular structure lightbox
CAS RN: 2137815-85-9

6-methylmorpholine-2-carboxylic acid hydrochloride

  • Product code: SSC-102262
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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 2137815-85-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shanghai Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

2137815-85-9 / 6-methylmorpholine-2-carboxylic acid;hydrochloride

Standard CAS: 2137815-85-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2137815-85-9
Multi CAS
No
Molecular Formula
C6H12ClNO3
Molecular Weight
181.620000
Exact Mass
181.050571
SMILES
CC1CNCC(O1)C(=O)O.Cl
InChI
InChI=1S/C6H11NO3.ClH/c1-4-2-7-3-5(10-4)6(8)9;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKey
KOEHSPZJDZARIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
42.09
TPSA
58.56

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.12
XLogP3
-0.13
Consensus LogP
-0.13
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
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
2.5

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