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CAS 101023-58-9 1-Methylimidazole Hydrobromide molecular structure lightbox
CAS RN: 101023-58-9

1-Methylimidazole Hydrobromide

  • Product code: SSC-001890
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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: 5g
  • Available purity: ≥97%
  • 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 101023-58-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shenzhen Inquiry

101023-58-9 / 1-methylimidazole;hydrobromide

1-methylimidazolium bromide | 1-Methylimidazole Hydrobromide | N-Methylimidazole hydrobromide

Standard CAS: 101023-58-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101023-58-9
Multi CAS
Yes
Molecular Formula
C4H7BrN2
Molecular Weight
163.020000
Exact Mass
161.979260
SMILES
CN1C=CN=C1.Br
InChI
InChI=1S/C4H6N2.BrH/c1-6-3-2-5-4-6;/h2-4H,1H3;1H
InChIKey
OOKUTCYPKPJYFV-UHFFFAOYSA-N
Synonyms
1-methylimidazolium bromide 1-Methylimidazole Hydrobromide N-Methylimidazole hydrobromide methylimidazolium bromide 3-methylimidazolium bromide

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.53
TPSA
17.82

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
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)
-3.01

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): 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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