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Chemistry

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Also known as: 532-59-2, Amylocaine hcl, Amyleine hydrochloride, (2-benzoyloxy-2-methylbutyl)dimethylammonium chloride, [1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride, 1-(dimethylaminomethyl)-1-methylpropyl benzoate hydrochloride
Molecular Formula
C14H22ClNO2
Molecular Weight
271.78  g/mol
InChI Key
YCAXNWFCHTZUMD-UHFFFAOYSA-N
FDA UNII
224EF0K14Q

Amylocaine Hydrochloride
1 2D Structure

Amylocaine Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[1-(dimethylamino)-2-methylbutan-2-yl] benzoate;hydrochloride
2.1.2 InChI
InChI=1S/C14H21NO2.ClH/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12;/h6-10H,5,11H2,1-4H3;1H
2.1.3 InChI Key
YCAXNWFCHTZUMD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C)(CN(C)C)OC(=O)C1=CC=CC=C1.Cl
2.2 Other Identifiers
2.2.1 UNII
224EF0K14Q
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Amyleine

2. Amylocaine

3. Dolodent

4. Stovaine

2.3.2 Depositor-Supplied Synonyms

1. 532-59-2

2. Amylocaine Hcl

3. Amyleine Hydrochloride

4. (2-benzoyloxy-2-methylbutyl)dimethylammonium Chloride

5. [1-(dimethylamino)-2-methylbutan-2-yl] Benzoate;hydrochloride

6. 1-(dimethylaminomethyl)-1-methylpropyl Benzoate Hydrochloride

7. 224ef0k14q

8. Dsstox_cid_25320

9. Dsstox_rid_80799

10. Dsstox_gsid_45320

11. Stovaine Hydrochloride

12. Prestwick_24

13. Einecs 208-541-6

14. Unii-224ef0k14q

15. Dolodent (tn)

16. 1-(dimethylamino)-2-methyl-2-butanol Benzoate Hydrochloride

17. 2-dimethylamino-1-ethyl-1-methylethyl Benzoate Hydrochloride

18. Methylethyldimethylaminomethylcarbinol Benzoyl Ester Hydrochloride

19. Ncgc00016494-01

20. Cas-532-59-2

21. Schembl25684

22. Mls002154185

23. Chembl1718204

24. Dtxsid1045320

25. Hms1568i19

26. Tox21_110455

27. Amylocaine Hydrochloride [mi]

28. 2-butanol, 1-(dimethylamino)-2-methyl-, Benzoate, Hydrochloride

29. Tox21_110455_1

30. Ccg-220049

31. Amylocaine Hydrochloride [mart.]

32. Amylocaine Hydrochloride [who-dd]

33. Ncgc00179641-03

34. Smr001233476

35. Ft-0622377

36. D07572

37. Sr-01000841239

38. Q-200639

39. Sr-01000841239-2

40. Q27253603

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 271.78 g/mol
Molecular Formula C14H22ClNO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass271.1339066 g/mol
Monoisotopic Mass271.1339066 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity247
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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