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CAS 1005-24-9 3-Carbamyl-1-methylpyridinium Chloride molecular structure lightbox
CAS RN: 1005-24-9

3-Carbamyl-1-methylpyridinium Chloride

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250304 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251226 1g In stock Shanghai, Shandong Inquiry
Batchno.20250412 250mg In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250331 25g In stock Shandong Inquiry
Batchno.20251230 5g In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-001071
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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 1005-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1005-24-9 / 1-methylpyridin-1-ium-3-carboxamide chloride

3-Carbamyl-1-methylpyridinium chloride | 1-Methylnicotinamide chloride | RefChem:499560

Standard CAS: 1005-24-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1005-24-9
Multi CAS
Yes
Molecular Formula
C7H9ClN2O
Molecular Weight
172.610000
Exact Mass
172.040341
SMILES
C[N+]1=CC=CC(=C1)C(=O)N.[Cl-]
InChI
InChI=1S/C7H8N2O.ClH/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H
InChIKey
BWVDQVQUNNBTLK-UHFFFAOYSA-N
Synonyms
3-Carbamyl-1-methylpyridinium chloride 1-Methylnicotinamide chloride RefChem:499560 463-670-7 686-866-6

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.14
TPSA
46.97

LogP / Solubility

WLOGP
-3.39
MLOGP
-2.98
XLogP3
-3.39
Consensus LogP
-3.25
Log S (ESOL)
0.89
Class (ESOL)
Highly soluble
Log S (Ali)
1.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.91
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.18

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501

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