Pinolic acid, azine

Base Information

• Chemical Name: Pinolic acid, azine
• CAS No.: 5422-97-9
• Molecular Formula: C20H32N2O4
• Molecular Weight: 364.4791
• NSC Number: 5640
• Mol file: 5422-97-9.mol

Synonyms:Pinolic acid, azine;NSC5640;3-Acetyl-2,2-dimethylcyclobutaneacetic acid azine;CYCLOBUTANEACETIC ACID, 3-ACETYL-2,2-DIMETHYL-, AZINE;5422-97-9;Cyclobutaneacetic acid, 3,3'-azinodiethylidyne)bis[2,2-dimethyl-;NSC-5640;LS-55825;(3-(N-(1-(3-(Carboxymethyl)-2,2-dimethylcyclobutyl)ethylidene)ethanehydrazonoyl)-2,2-dimethylcyclobutyl)acetic acid;2-[3-[(E)-N-[(E)-1-[3-(carboxymethyl)-2,2-dimethyl-cyclobutyl]ethylideneamino]-C-methyl-carbonimidoyl]-2,2-dimethyl-cyclobutyl]acetic acid

Chemical Property of Pinolic acid, azine

Chemical Property:

• Boiling Point: 518.6°Cat760mmHg
• Flash Point: 267.5°C
• PSA: 99.32000
• Density: 1.2g/cm³
• LogP: 4.09720
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 364.23620751
• Heavy Atom Count: 26
• Complexity: 592

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NN=C(C)C1CC(C1(C)C)CC(=O)O)C2CC(C2(C)C)CC(=O)O
• Isomeric SMILES: C/C(=N\N=C(\C1C(C(C1)CC(=O)O)(C)C)/C)/C2C(C(C2)CC(=O)O)(C)C