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CAS 17720-63-7 N,N,O-Triacetylhydroxylamine molecular structure lightbox
CAS RN: 17720-63-7

N,N,O-Triacetylhydroxylamine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260502 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTT1202
  • Purity/Analytical Methods: >99.0%(GC)
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17720-63-7 / (diacetylamino) acetate

Standard CAS: 17720-63-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17720-63-7
Multi CAS
No
Molecular Formula
C6H9NO4
Molecular Weight
159.140000
Exact Mass
159.053158
SMILES
CC(=O)N(C(=O)C)OC(=O)C
InChI
InChI=1S/C6H9NO4/c1-4(8)7(5(2)9)11-6(3)10/h1-3H3
InChIKey
NGULNJDDRUSDPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
34.97
TPSA
63.68

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.4
Consensus LogP
-0.22
Log S (ESOL)
-0.74
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.79

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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