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CAS 1082495-22-4

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CHEMISTRY

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Chemistry

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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

CAS 1082495-22-4

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 Formula	C₁₀H₁₂N₂O₂
Molecular Weight	192.21 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	192.089877630 g/mol
Monoisotopic Mass	192.089877630 g/mol
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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