3-Ethenyl-morpholine - CAS 148860-48-4

Catalog:	BB065462
Product Name:	3-Ethenyl-morpholine
CAS:	148860-48-4
Synonyms:	3-Vinylmorpholine; 3-Ethenylmorpholine

Technical Data

IUPAC Name:	3-ethenylmorpholine
Description:	3-Ethenyl-morpholine is a Morpholine (M723725) based building block used in various synthetic preparations. Morpholine and its derivatives are widely used in the synthesis of pharmaceuticals. Morpholines are used as selective inhibitors of cytochrome p450 2a13 in the treatment of cancer. Morpholine is also used in the preparation of the antibiotic Linezolid (L466500), anticancer agent Gefitinib (G304000) and analgetic Dextromoramide (M630190).
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	C=CC1COCCN1
InChI:	InChI=1S/C6H11NO/c1-2-6-5-8-4-3-7-6/h2,6-7H,1,3-5H2
InChI Key:	QEXXWAFEPQBSML-UHFFFAOYSA-N
References:	Hall, H. K., et al. J. Am. Chem. Soc., 79, 5441 (1957); Paladini, D., et al. Biochem., 48, 5760 (2009); Bard, B., et al. J. Med. Chem., 52, 3416 (2009).

Complexity:	82.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	21.3Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1