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CAS 6923-01-9 IMIDAZOLE-D4 molecular structure lightbox
CAS RN: 6923-01-9

IMIDAZOLE-D4

  • Product code: SSC-178863
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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: ≥98%
  • 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 6923-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

6923-01-9 / 1H-imidazole

Standard CAS: 6923-01-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
6923-01-9
Multi CAS
Yes
Molecular Formula
C3H4N2
Molecular Weight
68.080000
Exact Mass
68.037448
InChI
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/i1D,2D,3D/hD
InChIKey
RAXXELZNTBOGNW-MSWVZFBTSA-N

Physical Properties

Melting Point
89.52 °C 90.5 °C 89 °C
Boiling Point
257 °C 268 °C
Density
Density: 1.0303 g/cu m at 101 °C Relative density (water = 1): 1.03
Physical Description
Liquid, Other Solid Solid; [Merck Index] Colorless to yellow solid with an amine-like odor; [OECD SIDS] White or light yellow crystals; Solid COLOURLESS-TO-YELLOW CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
Monoclinic prisms from benzene Colorless crystals Colorless-yellow solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
5
Aromatic heavy atom count
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
18.59
TPSA
28.68

LogP / Solubility

WLOGP
0.41
MLOGP
0.34
XLogP3
-0.1
Consensus LogP
0.22
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.44
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)
-2.84

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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