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CAS 76029-62-4 Acetic acid, aMinoiMino-, ethyl ester, Monohydrochloride molecular structure lightbox
CAS RN: 76029-62-4

Acetic acid, aMinoiMino-, ethyl ester, Monohydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: SSC-185480
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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 76029-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

76029-62-4 / ethyl 2-amino-2-iminoacetate;hydrochloride

Standard CAS: 76029-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76029-62-4
Multi CAS
Yes
Molecular Formula
C4H9CLN2O2
Molecular Weight
152.580000
Exact Mass
152.035255
InChI
InChI=1S/C4H8N2O2.ClH/c1-2-8-4(7)3(5)6;/h2H2,1H3,(H3,5,6);1H
InChIKey
ARUMINUDFDUGNU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.8
TPSA
76.17

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.09
XLogP3
-0.09
Consensus LogP
-0.09
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
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)
-3.72

Drug-likeness / Medicinal Chemistry

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

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