1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH 2-ETHYLHEXANOIC ACID (1:1)

Base Information

• Chemical Name: 1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH 2-ETHYLHEXANOIC ACID (1:1)
• CAS No.: 33918-18-2
• Molecular Formula: C17H32N2O2
• Molecular Weight: 296.45
• Hs Code.: 2933990090
• European Community (EC) Number: 608-915-2
• DSSTox Substance ID: DTXSID701026296
• Mol file: 33918-18-2.mol

Synonyms:hexanoicacid,2-ethyl-,compd.with2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]a;Hexanoicacid,2-ethyl-,compd.with2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine(1:1);zepine(1:1);1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH 2-ETHYLHEXANOIC ACID (1:1);Hexanoic acid, 2-ethyl-, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;1,8-Diazabicyclo[5.4.0]undec-7-ene 2-ethylhexanoate

Chemical Property of 1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH 2-ETHYLHEXANOIC ACID (1:1)

Chemical Property:

• Melting Point: 35-39 °C(lit.)
• PSA: 52.90000
• LogP: 3.32550
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 296.246378268
• Heavy Atom Count: 21
• Complexity: 262

Purity/Quality:

98%min ^*data from raw suppliers

1,8-DIAZABICYCLO[5.4.0]UNDEC-7-ENE, COMPOUND WITH 2-ETHYLHEXANOIC ACID (1:1) 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(CC)C(=O)O.C1CCC2=NCCCN2CC1