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CAS 946511-97-3 manufacturers and suppliers on PharmaCompass

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CAS 946511-97-3
Also known as: 946511-97-3, 2-ethylbutyl l-alaninate hydrochloride, L-alanine, 2-ethylbutyl ester, hydrochloride (1:1), Mfcd32660031, 2-ethylbutyl (2s)-2-aminopropanoate;hydrochloride, Remdesivir amino ester compound
Molecular Formula
C9H20ClNO2
Molecular Weight
209.71  g/mol
InChI Key
DEAGOVGXNPHPIJ-FJXQXJEOSA-N

1 2D Structure

CAS 946511-97-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethylbutyl (2S)-2-aminopropanoate;hydrochloride
2.1.2 InChI
InChI=1S/C9H19NO2.ClH/c1-4-8(5-2)6-12-9(11)7(3)10;/h7-8H,4-6,10H2,1-3H3;1H/t7-;/m0./s1
2.1.3 InChI Key
DEAGOVGXNPHPIJ-FJXQXJEOSA-N
2.1.4 Canonical SMILES
CCC(CC)COC(=O)C(C)N.Cl
2.1.5 Isomeric SMILES
CCC(CC)COC(=O)[C@H](C)N.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 946511-97-3

2. 2-ethylbutyl L-alaninate Hydrochloride

3. L-alanine, 2-ethylbutyl Ester, Hydrochloride (1:1)

4. Mfcd32660031

5. 2-ethylbutyl (2s)-2-aminopropanoate;hydrochloride

6. Remdesivir Amino Ester Compound

7. Schembl1273080

8. L-alanine 2-ethylbutyl Ester Hcl

9. 2-ethylbutyl L-alaninate Hcl

10. (s)-2-ethylbutyl 2-aminopropanoate Hcl

11. L-alanine-2-ethylbutylester Hydrochloride

12. Bs-45142

13. Cs-0131407

14. E1444

15. (s)-2-ethylbutyl2-aminopropanoatehydrochloride

16. C91696

2.3 Create Date
2009-10-12
3 Chemical and Physical Properties
Molecular Weight 209.71 g/mol
Molecular Formula C9H20ClNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass209.1182566 g/mol
Monoisotopic Mass209.1182566 g/mol
Topological Polar Surface Area52.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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