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CAS 740792-70-5 [ethyl(methyl)amino]acetic acid molecular structure lightbox
CAS RN: 740792-70-5

[ethyl(methyl)amino]acetic acid

  • Product code: SSC-183474
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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 740792-70-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

740792-70-5 / 2-[ethyl(methyl)amino]acetic acid

Standard CAS: 740792-70-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
740792-70-5
Multi CAS
No
Molecular Formula
C5H11NO2
Molecular Weight
117.150000
Exact Mass
117.078979
InChI
InChI=1S/C5H11NO2/c1-3-6(2)4-5(7)8/h3-4H2,1-2H3,(H,7,8)
InChIKey
FOAINFSTWSHMPH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
30.81
TPSA
40.54

LogP / Solubility

WLOGP
0.02
MLOGP
0.01
XLogP3
-2.1
Consensus LogP
-0.69
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.54
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.42

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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