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CAS 17573-94-3 4-Ethynyl-N,N-dimethylaniline molecular structure lightbox
CAS RN: 17573-94-3

4-Ethynyl-N,N-dimethylaniline

Product Availability

Choose a grade to view its available package options.

9 package records9 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260618 1g In stock Inquiry
Batchno.20260614 250mg In stock Inquiry
Batchno.20260224 25g In stock Inquiry
Batchno.20250729 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251111 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250412 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250322 25g In stock Shanghai Inquiry
Batchno.20250917 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260524 100mg / 250mg / 1g / 5g Confirm by inquiry Shandong, Shanghai, Hebei Inquiry
  • Product code: SSC-077075
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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: ≥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 17573-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

17573-94-3 / 4-ethynyl-N,N-dimethylaniline

Standard CAS: 17573-94-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17573-94-3
Multi CAS
No
Molecular Formula
C10H11N
Molecular Weight
145.200000
Exact Mass
145.089149
SMILES
CN(C)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H11N/c1-4-9-5-7-10(8-6-9)11(2)3/h1,5-8H,2-3H3
InChIKey
ZWMAYLMVFSCMMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
48.7
TPSA
3.24

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
2.7
Consensus LogP
1.98
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.37

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] H317 (97.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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