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CAS 54864-83-4 6-Chloro-N,N-dimethylnicotinamide molecular structure lightbox
CAS RN: 54864-83-4

6-Chloro-N,N-dimethylnicotinamide

Product Availability

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3 package records1 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250609 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-162680
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 25g, 10g, 5g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 7
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 54864-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
10g -- 4 In Stock Hong Kong Inquiry
5g >97% 3 In Stock Shenzhen Inquiry
5g -- 2 In Stock Shanghai Inquiry
25g -- 2 In Stock Beijing Inquiry
100g -- 1 In Stock Shanghai Inquiry

54864-83-4 / 6-chloro-N,N-dimethylpyridine-3-carboxamide

6-Chloro-N,N-dimethylnicotinamide | RefChem:541856 | 874-740-5

Standard CAS: 54864-83-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
54864-83-4
Multi CAS
No
Molecular Formula
C8H9CLN2O
Molecular Weight
184.620000
Exact Mass
184.040341
SMILES
CN(C)C(=O)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-3-4-7(9)10-5-6/h3-5H,1-2H3
InChIKey
BPMBBXCPGAFTCX-UHFFFAOYSA-N
Synonyms
6-Chloro-N,N-dimethylnicotinamide RefChem:541856 874-740-5 6-chloro-N,N-dimethylpyridine-3-carboxamide MFCD08588286

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
47.26
TPSA
33.2

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.3
Consensus LogP
1.33
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-2.83

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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