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146421-65-0 molecular structure
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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 and InChIs

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

Cite this record

CBID:138216 http://www.chembase.cn/molecule-138216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
146421-65-0
MDL Number
MFCD02093673
PubChem SID
162232474
24873773
PubChem CID
5112804

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
514829 external link Add to cart Please log in.
Data Source Data ID
PubChem 5112804 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.403926  H Acceptors
H Donor LogD (pH = 5.5) 2.9903352 
LogD (pH = 7.4) 2.9903352  Log P 2.9903352 
Molar Refractivity 107.2068 cm3 Polarizability 42.310467 Å3
Polar Surface Area 95.12 Å2 Rotatable Bonds 21 
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
99-103 °C(lit.) expand Show data source
Flash Point
154 °C expand Show data source
309 °F expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
1 expand Show data source
Safety Statements
36 expand Show data source
Purity
98% expand Show data source
Linear Formula
[(CH2)3NHCO2(CH2)4OCH=CH2]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 514829 external link
Packaging
100 g in glass bottle
Legal Information
Product of Morflex, Inc.
VEctomer is a registered trademark of Vertellus Specialties, Inc.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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