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CAS 2039-80-7 N,N-dimethyl-4-vinylaniline molecular structure lightbox
CAS RN: 2039-80-7

N,N-dimethyl-4-vinylaniline

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-095966
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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, 5g, 0.25g, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 2039-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shanghai Inquiry
10g >97% 1 In Stock Hong Kong Inquiry

2039-80-7 / 4-ethenyl-N,N-dimethylaniline

Standard CAS: 2039-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2039-80-7
Multi CAS
No
Molecular Formula
C10H13N
Molecular Weight
147.220000
Exact Mass
147.104799
SMILES
CN(C)C1=CC=C(C=C1)C=C
InChI
InChI=1S/C10H13N/c1-4-9-5-7-10(8-6-9)11(2)3/h4-8H,1H2,2-3H3
InChIKey
GQWAOUOHRMHSHL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.86
TPSA
3.24

LogP / Solubility

WLOGP
2.4
MLOGP
2.1
XLogP3
3.2
Consensus LogP
2.57
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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