4CH-016843

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6 End Use APIs
27 Related Intermediates

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1 Intermediates

1 Intermediates

Chemistry

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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

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 Formula	C₁₅H₂₄ClNO₆
Molecular Weight	349.81 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	349.1292152 g/mol
Monoisotopic Mass	349.1292152 g/mol
Topological Polar Surface Area	89.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	314
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	2