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CAS 23724-60-9 ACETAMIDE-2,2,2-D3 molecular structure lightbox
CAS RN: 23724-60-9

ACETAMIDE-2,2,2-D3

  • Product code: SSC-115311
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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 23724-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

23724-60-9 / acetamide

Standard CAS: 23724-60-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
23724-60-9
Multi CAS
No
Molecular Formula
C2H5NO
Molecular Weight
59.070000
Exact Mass
59.037114
SMILES
CC(=O)N
InChI
InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
InChIKey
DLFVBJFMPXGRIB-UHFFFAOYSA-N

Physical Properties

Melting Point
180.1 °F (NTP, 1992) 81.16 °C 82 - 83 °C 81 °C 180.1 °F
Boiling Point
430 °F at 760 mmHg (NTP, 1992) 222 °C at 760 mm Hg 221.00 to 222.00 °C. @ 760.00 mm Hg 222 °C 430 °F
Density
1.159 at 68 °F (NTP, 1992) - Denser than water; will sink 1.159 at 20 °C/4 °C 1.16 g/cm³ 1.159
Physical Description
Acetamide appears as colorless crystals with a mousy odor (NTP, 1999). Low toxicity. Colorless, deliquescent solid; [Hawley] Colorless crystals; Solid COLOURLESS DELIQUESCENT CRYSTALS. Colorless crystals
Appearance
Deliquescent hexagonal crystals Trigonal monoclinic crystals from alcohol and ether
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
14.87
TPSA
43.09

LogP / Solubility

WLOGP
-0.51
MLOGP
-0.46
XLogP3
-0.9
Consensus LogP
-0.62
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
0.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.38
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-3.44

Drug-likeness / Medicinal Chemistry

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

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