4-(ethenyloxy)butyl N-[6-({[4-(ethenyloxy)butoxy]carbonyl}amino)hexyl]carbamate

• ChemBase ID: 138216
• Molecular Formular: C20H36N2O6
• Molecular Mass: 400.50964
• Monoisotopic Mass: 400.25733688
• SMILES: C=COCCCCOC(=O)NCCCCCCNC(=O)OCCCCOC=C
• Canonical SMILES: C=COCCCCOC(=O)NCCCCCCNC(=O)OCCCCOC=C
• InChI: InChI=1S/C20H36N2O6/c1-3-25-15-9-11-17-27-19(23)21-13-7-5-6-8-14-22-20(24)28-18-12-10-16-26-4-2/h3-4H,1-2,5-18H2,(H,21,23)(H,22,24)
• InChIKey: SQPFTUPRJYKNIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(ethenyloxy)butyl N-[6-({[4-(ethenyloxy)butoxy]carbonyl}amino)hexyl]carbamate
• IUPAC Traditional name: 4-(ethenyloxy)butyl N-[6-({[4-(ethenyloxy)butoxy]carbonyl}amino)hexyl]carbamate
• Synonyms: VEctomer® 4230 vinyl ether; Bis[4-(vinyloxy)butyl] 1,6-hexanediylbiscarbamate; VEctomer® 4230 乙烯醚; 二[4-(乙烯基氧代)丁基] 1,6-己二基二氨基甲酸酯

Database IDs

• CAS Number: 146421-65-0
• MDL Number: MFCD02093673
• PubChem SID: 24873773; 162232474
• PubChem CID: 5112804

CALCULATED PROPERTIES

• Acid pKa: 15.403926
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9903352
• LogD (pH = 7.4): 2.9903352
• Log P: 2.9903352
• Molar Refractivity: 107.2068 cm^3
• Polarizability: 42.310467 Å^3
• Polar Surface Area: 95.12 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99-103 °C(lit.)
• Flash Point: 154 °C; 309 °F

Safety Information

• German water hazard class: 1
• Safety Statements: 36

Product Information

• Purity: 98%
• Linear Formula: [(CH2)3NHCO2(CH2)4OCH=CH2]2

DETAILS

Sigma Aldrich - 514829

Packaging
100 g in glass bottle
Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.