3-Morpholinecarboxamide - CAS 848488-74-4

Name: 3-Morpholinecarboxamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB058946
Product Name:	3-Morpholinecarboxamide
CAS:	848488-74-4
Synonyms:	morpholine-3-carboxamide; 3-Morpholinecarboxamide; Morpholine-3-carboxylic acid amide

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	morpholine-3-carboxamide
Description:	3-Morpholinecarboxamide is derived from 3-Morpholinecarbonitrile (M723800), which is used as a reactant in the synthesis of N-methyl pyrimidone derivatives as potent and orally bioavailable HIV integrase inhibitors.
Molecular Weight:	130.15
Molecular Formula:	C5H10N2O2
Canonical SMILES:	C1COCC(N1)C(=O)N
InChI:	InChI=1S/C5H10N2O2/c6-5(8)4-3-9-2-1-7-4/h4,7H,1-3H2,(H2,6,8)
InChI Key:	YPSPPJRTCRMQGD-UHFFFAOYSA-N
References:	Gardelli, C., et. al. J. Med. Chem., 50, 4953 (2007).

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Related Functional Groups

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4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.074227566
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	130.074227566
Rotatable Bond Count:	1
Topological Polar Surface Area:	64.4Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.6