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CAS 20781-20-8 2,4-Dimethoxybenzylamine molecular structure lightbox
CAS RN: 20781-20-8

2,4-Dimethoxybenzylamine

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100g In stock Inquiry
Batchno.20260418 25g In stock Inquiry
Batchno.20260405 500g In stock Inquiry
Batchno.20250120 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260608 100g In stock Shanghai, Shandong Inquiry
Batchno.20260425 25g In stock Shanghai, Guangdong Inquiry
Batchno.20250521 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-097795
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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: 5g, 10g, 25g, 100g, 500g
  • 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 20781-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 5 In Stock Shenzhen Inquiry
10g >97% 5 In Stock Beijing Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 5 In Stock Hong Kong Inquiry

20781-20-8 / (2,4-dimethoxyphenyl)methanamine

Standard CAS: 20781-20-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20781-20-8
Multi CAS
No
Molecular Formula
C9H13NO2
Molecular Weight
167.200000
Exact Mass
167.094629
SMILES
COC1=CC(=C(C=C1)CN)OC
InChI
InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6,10H2,1-2H3
InChIKey
QOWBXWFYRXSBAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.44
TPSA
44.48

LogP / Solubility

WLOGP
1.16
MLOGP
1.02
XLogP3
1.3
Consensus LogP
1.16
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.77
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

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