CAS 2899-29-8

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Also known as: L-tryptophanol, 2899-29-8, H-tryptophanol, (s)-2-amino-3-(1h-indol-3-yl)propan-1-ol, (2s)-2-amino-3-(1h-indol-3-yl)propan-1-ol, L-(-)-tryptophanol

Molecular Formula

C₁₁H₁₄N₂O

Molecular Weight

190.24 g/mol

InChI Key

UDQCRUSSQAXPJY-VIFPVBQESA-N

1 2D Structure

CAS 2899-29-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-(1H-indol-3-yl)propan-1-ol

2.1.2 InChI

InChI=1S/C11H14N2O/c12-9(7-14)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13-14H,5,7,12H2/t9-/m0/s1

2.1.3 InChI Key

UDQCRUSSQAXPJY-VIFPVBQESA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CC(CO)N

2.1.5 Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](CO)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Tryptophanol Ethanedioate (1:1), (s)-isomer

2. Tryptophanol, (+-)-isomer

3. Tryptophanol, (s)-isomer

2.2.2 Depositor-Supplied Synonyms

1. L-tryptophanol

2. 2899-29-8

3. H-tryptophanol

4. (s)-2-amino-3-(1h-indol-3-yl)propan-1-ol

5. (2s)-2-amino-3-(1h-indol-3-yl)propan-1-ol

6. L-(-)-tryptophanol

7. (s)-2-amino-3-(3-indolyl)-1-propanol

8. 2-amino-3-(1h-indol-3-yl)-propan-1-ol

9. 1h-indole-3-propanol, Beta-amino-, (betas)-

10. Mfcd00037970

11. Tryptophanol, L-

12. L-trp-ol

13. L-tryptophanol, 97%

14. (s)-(-)-2-amino-3-(3-indolyl)propanol

15. Schembl81822

16. Chembl1222398

17. Amy39199

18. Akos016842503

19. Cs-w015883

20. Db04236

21. Ac-19308

22. Cs-17371

23. A5455

24. T1537

25. A51033

26. M03450

27. T-8395

28. (2s)-2-amino-3-(1h-indol-3-yl)-1-propanol

29. En300-1850619

30. Q27466693

2.3 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₄N₂O
Molecular Weight	190.24 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	62
Heavy Atom Count	14
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1