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CAS 183322-17-0
Also known as: 183322-17-0, 2-amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride, Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride, Mfcd18206207, Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate hcl, 2-amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hcl
Molecular Formula
C15H24ClNO6
Molecular Weight
349.81  g/mol
InChI Key
CVAXGYHQKOQSDV-UHFFFAOYSA-N

1 2D Structure

CAS 183322-17-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride
2.1.2 InChI
InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H
2.1.3 InChI Key
CVAXGYHQKOQSDV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CC(=C(C=C1N)OCCOC)OCCOC.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 183322-17-0

2. 2-amino-4,5-bis(2-methoxyethoxy)benzoic Acid Ethyl Ester Hydrochloride

3. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate;hydrochloride

4. Mfcd18206207

5. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hcl

6. 2-amino-4,5-bis(2-methoxyethoxy)benzoic Acid Ethyl Ester Hcl

7. Erlotinib Impurity 7

8. Dtxsid20743447

9. Amy40067

10. Bcp08821

11. Akos016005096

12. Ds-4013

13. Sb83278

14. Benzoic Acid, 2-amino-4,5-bis(2-methoxyethoxy)-, Ethyl Ester, Hydrochloride (1:1)

15. Ac-29001

16. Sy112986

17. Cs-0151784

18. Ft-0689799

19. F16086

20. A851334

21. Ethyl2-amino-4,5-bis(2-methoxyethoxy)benzoatehydrochloride

22. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)-benzoate Hydrochloride

23. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate,hydrochloride

24. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hydrochloride (1:1)

25. Ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate--hydrogen Chloride (1/1)

26. Ethyl 4,5-bis(2-methoxyethoxy)-2-aminobenzoate Hydrochloride;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate Hydrochloride

2.3 Create Date
2013-02-18
3 Chemical and Physical Properties
Molecular Weight 349.81 g/mol
Molecular Formula C15H24ClNO6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass349.1292152 g/mol
Monoisotopic Mass349.1292152 g/mol
Topological Polar Surface Area89.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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