2-Cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid

Base Information

• Chemical Name: 2-Cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid
• CAS No.: 189640-37-7
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.2955
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30379716
• Mol file: 189640-37-7.mol

Synonyms:189640-37-7;2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid;2-cyano-5-methyl-2-(3-methylbut-2-en-1-yl)hex-4-enoic acid;5-Cyano-2,8-dimethyl-5-non-2,7-dienoic acid;4-Hexenoic acid, 2-cyano-5-methyl-2-(3-methyl-2-buten-1-yl)-;HMS548K17;CDS1_000237;Maybridge1_002525;DivK1c_001277;DTXSID30379716;SASKPRUTXWPBDF-UHFFFAOYSA-N;CCG-41899;MFCD02090602;AKOS015911065;FT-0612103;A813339;J-509198;SR-01000631944-1;BRD-K09857693-001-01-9;BRD-K09857693-001-03-5;2-cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid, AldrichCPR

Chemical Property of 2-Cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid

Chemical Property:

• Vapor Pressure: 6.74E-07mmHg at 25°C
• Melting Point: 70 °C
• Refractive Index: 1.494
• Boiling Point: 382.1 °C at 760 mmHg
• Flash Point: 184.9 °C
• PSA: 61.09000
• Density: 1.015 g/cm³
• LogP: 3.29358
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.141578849
• Heavy Atom Count: 16
• Complexity: 341

Purity/Quality:

99% ^*data from raw suppliers

2-Cyano-5-methyl-2-(3-methylbut-2-enyl)hex-4-enoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T
• Hazard Codes: C,T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC(CC=C(C)C)(C#N)C(=O)O)C