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CAS 760938-46-3 Hydroxylamine, O-(2-methyl-1-oxopropyl)- (9CI) molecular structure lightbox
CAS RN: 760938-46-3

Hydroxylamine, O-(2-methyl-1-oxopropyl)- (9CI)

  • Product code: SSC-185536
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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 760938-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

760938-46-3 / amino 2-methylpropanoate

Standard CAS: 760938-46-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
760938-46-3
Multi CAS
No
Molecular Formula
C4H9NO2
Molecular Weight
103.120000
Exact Mass
103.063329
InChI
InChI=1S/C4H9NO2/c1-3(2)4(6)7-5/h3H,5H2,1-2H3
InChIKey
LLQIKSJTBKCTPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
25.12
TPSA
52.32

LogP / Solubility

WLOGP
0.06
MLOGP
0.04
XLogP3
0.4
Consensus LogP
0.17
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-3.31

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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