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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

CAS 183322-17-0
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

BUILDING BLOCK

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