CAS 105601-04-5

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CHEMISTRY

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BUILDING BLOCK

3 Suppliers, 3 End Use APIs, 15 Related Intermediates

3 Suppliers
3 End Use APIs
15 Related Intermediates

Chemistry

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Also known as: 105601-04-5, 3-(1-(dimethylamino)ethyl)phenol, 3-(1-(dimethylamino)ethyl]phenol, Phenol, 3-[1-(dimethylamino)ethyl]-, 3-[(1s)-1-(dimethylaminoethyl)]phenol, 3-(1-dimethylaminoethyl)phenol

Molecular Formula

C₁₀H₁₅NO

Molecular Weight

165.23 g/mol

InChI Key

GQZXRLWUYONVCP-UHFFFAOYSA-N

1 2D Structure

CAS 105601-04-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[1-(dimethylamino)ethyl]phenol

2.1.2 InChI

InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3

2.1.3 InChI Key

GQZXRLWUYONVCP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=CC(=CC=C1)O)N(C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 3-(1-dimethylaminoethyl)phenol

2. Nap 226-90

3. Nap-226-90

4. Nap226-90

2.2.2 Depositor-Supplied Synonyms

1. 105601-04-5

2. 3-(1-(dimethylamino)ethyl)phenol

3. 3-(1-(dimethylamino)ethyl]phenol

4. Phenol, 3-[1-(dimethylamino)ethyl]-

5. 3-[(1s)-1-(dimethylaminoethyl)]phenol

6. 3-(1-dimethylaminoethyl)phenol

7. Mfcd08272688

8. Phenol,3-[1-(dimethylamino)ethyl]-

9. Mfcd06656491

10. Dipropylmaleate

11. Rivastigmine Intermediates

12. Schembl43343

13. Bdbm10630

14. Dtxsid20328334

15. 3-(1-dimethylamino-ethyl)-phenol

16. Hms3604c09

17. Stl450948

18. Akos015850703

19. Ac-3488

20. Mb03878

21. Sb44524

22. Sb76291

23. Sy067144

24. Sy102287

25. (+/-)-3-(1-(dimethylamino)ethyl)phenol

26. Db-012764

27. Am20080966

28. Cs-0154112

29. D5326

30. Ft-0642603

31. Ft-0649363

32. Ft-0658969

33. Ft-0667382

34. Ft-0672608

35. 3-[1-(dimethylamino)ethyl]phenol, Aldrichcpr

36. 601d045

37. A801275

38. Q-101325

39. N,n-dimethyl-n-[1-(3'-hydroxyphenyl)ethyl]amine;zns 114-666

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO
Molecular Weight	165.23 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.115364102 g/mol
Monoisotopic Mass	165.115364102 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1