4-(3-Aminophenyl)-3-morpholinone - CAS 1082495-22-4

Catalog:	BB074389
Product Name:	4-(3-Aminophenyl)-3-morpholinone
CAS:	1082495-22-4
Synonyms:	4-(3-Aminophenyl)morpholin-3-one; 4-(3-Amino-phenyl)-morpholin-3-one

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(3-aminophenyl)morpholin-3-one
Molecular Weight:	192.21
Molecular Formula:	C10H12N2O2
Canonical SMILES:	C1COCC(=O)N1C2=CC=CC(=C2)N
InChI:	InChI=1S/C10H12N2O2/c11-8-2-1-3-9(6-8)12-4-5-14-7-10(12)13/h1-3,6H,4-5,7,11H2
InChI Key:	IABQKUMPNMOSKF-UHFFFAOYSA-N
References:	Bamaung, N., et al. PCT Int. Appl. (2009), WO 2009070516 A1 20090604..

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.08987763
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.08987763
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3