[email protected]
CAS 1117-37-9 Ethyl 3-(N,N-dimethylamino)acrylate molecular structure lightbox
CAS RN: 1117-37-9

Ethyl 3-(N,N-dimethylamino)acrylate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Guangdong, Shandong Inquiry
  • Product code: SSC-012277
GET A QUOTE
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: 5g, 10g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1117-37-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
10g ≥97% 0 Out of Stock Beijing Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

1117-37-9 / ethyl (E)-3-(dimethylamino)prop-2-enoate

Ethyl 3-(N,N-dimethylamino)acrylate | ethyl 3-(dimethylamino)prop-2-enoate | ethyl 3-dimethylaminoacrylate

Standard CAS: 1117-37-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1117-37-9
Multi CAS
Yes
Molecular Formula
C7H13NO2
Molecular Weight
143.180000
Exact Mass
143.094629
SMILES
CCOC(=O)/C=C/N(C)C
InChI
InChI=1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+
InChIKey
MVUMJYQUKKUOHO-AATRIKPKSA-N
Synonyms
Ethyl 3-(N,N-dimethylamino)acrylate ethyl 3-(dimethylamino)prop-2-enoate ethyl 3-dimethylaminoacrylate Moxifloxacin Impurity 71 SCHEMBL286112

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
39.46
TPSA
29.54

LogP / Solubility

WLOGP
0.62
MLOGP
0.54
XLogP3
0.8
Consensus LogP
0.65
Log S (ESOL)
-0.92
Class (ESOL)
Very soluble
Log S (Ali)
-1.19
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
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)
-3.15

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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (85.7%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 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

Customers Also Viewed

Get In Touch

Contact Us