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CAS 1082495-22-4 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 1082495-22-4
Also known as: 1082495-22-4, 4-(3-amino-phenyl)-morpholin-3-one, Schembl20124865, Dtxsid90651808, Mfcd11577324, Zinc20398314
Molecular Formula
C10H12N2O2
Molecular Weight
192.21  g/mol
InChI Key
IABQKUMPNMOSKF-UHFFFAOYSA-N

1 2D Structure

CAS 1082495-22-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(3-aminophenyl)morpholin-3-one
2.1.2 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
2.1.3 InChI Key
IABQKUMPNMOSKF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCC(=O)N1C2=CC=CC(=C2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1082495-22-4

2. 4-(3-amino-phenyl)-morpholin-3-one

3. Schembl20124865

4. Dtxsid90651808

5. Mfcd11577324

6. Zinc20398314

7. Akos006316004

8. Ab64312

9. Am807356

10. Bs-49785

11. Da-19119

12. Sy274346

13. Cs-0165652

14. Ft-0740541

15. E78405

16. A849116

17. 4-(3-aminophenyl)morpholin-3-one? (rivaroxaban Impurity Pound(c)

2.3 Create Date
2009-05-28
3 Chemical and Physical Properties
Molecular Weight 192.21 g/mol
Molecular Formula C10H12N2O2
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass192.089877630 g/mol
Monoisotopic Mass192.089877630 g/mol
Topological Polar Surface Area55.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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