ITF 631 structure

ITF 631

butyl 4-[3-[2-(dimethylamino)ethoxy]indazol-1-yl]benzoate

CAS: 20954-12-5
Molecular Formula C22H27N3O3
Molecular Weight 381.5 g/mol
LogP 4.7
Topological Polar Surface Area 56.6 A2
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 381.20523
Heavy Atoms 28
Complexity 480.0

Chemical Identifiers

CAS Number 20954-12-5
SMILES CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN(C)C
InChIKey VZXXAZKSJMKSPJ-UHFFFAOYSA-N

📖 Product Overview

ITF 631 (CAS: 20954-12-5) is a chemical compound with molecular formula C22H27N3O3 and molecular weight 381.5 g/mol. Its IUPAC systematic name is butyl 4-[3-[2-(dimethylamino)ethoxy]indazol-1-yl]benzoate. LogP 4.7 Topological Polar Surface Area 56.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 381.20523 Heavy Atoms 28 Complexity 480.0 InChI Key: VZXXAZKSJMKSPJ-UHFFFAOYSA-N. SMILES: CCCCOC(=O)C1=CC=C(C=C1)N2C3=CC=CC=C3C(=N2)OCCN(C)C.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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