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CAS 513-29-1 Glycine Sulfate molecular structure lightbox
CAS RN: 513-29-1

Glycine Sulfate

  • Product code: SSC-158151
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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: 5g
  • 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 513-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

513-29-1 / tris(2-aminoacetic acid);sulfuric acid

Standard CAS: 513-29-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
513-29-1
Multi CAS
No
Molecular Formula
C6H17N3O10S
Molecular Weight
323.280000
Exact Mass
323.063465
SMILES
C(C(=O)O)N.C(C(=O)O)N.C(C(=O)O)N.OS(=O)(=O)O
InChI
InChI=1S/3C2H5NO2.H2O4S/c3*3-1-2(4)5;1-5(2,3)4/h3*1,3H2,(H,4,5);(H2,1,2,3,4)
InChIKey
GZXOHHPYODFEGO-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid; [Merck Index] White solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
8
Molar refractivity
64.25
TPSA
264.56

LogP / Solubility

WLOGP
-3.56
MLOGP
-3.12
XLogP3
-3.56
Consensus LogP
-3.41
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.36
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.84
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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