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2D Structure
Also known as: 87745-27-5, H-tyr-ol.hcl, (s)-4-(2-amino-3-hydroxypropyl)phenol hydrochloride, H-tyr-ol, 4-[(2s)-2-amino-3-hydroxypropyl]phenol;hydrochloride, Mfcd00038953
Molecular Formula
C9H14ClNO2
Molecular Weight
203.66  g/mol
InChI Key
PNGCRFWYSRUQTB-QRPNPIFTSA-N
FDA UNII
A482EX24NS

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(2S)-2-amino-3-hydroxypropyl]phenol;hydrochloride
2.1.2 InChI
InChI=1S/C9H13NO2.ClH/c10-8(6-11)5-7-1-3-9(12)4-2-7;/h1-4,8,11-12H,5-6,10H2;1H/t8-;/m0./s1
2.1.3 InChI Key
PNGCRFWYSRUQTB-QRPNPIFTSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CC(CO)N)O.Cl
2.1.5 Isomeric SMILES
C1=CC(=CC=C1C[C@@H](CO)N)O.Cl
2.2 Other Identifiers
2.2.1 UNII
A482EX24NS
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 87745-27-5

2. H-tyr-ol.hcl

3. (s)-4-(2-amino-3-hydroxypropyl)phenol Hydrochloride

4. H-tyr-ol

5. 4-[(2s)-2-amino-3-hydroxypropyl]phenol;hydrochloride

6. Mfcd00038953

7. L-tyrosinol Hcl

8. H-tyr-ol Hcl

9. 4-[(2s)-2-amino-3-hydroxypropyl]phenol Hydrochloride

10. Schembl1168215

11. L-tyrosinol Hydrochloride, 98%

12. Pngcrfwysruqtb-qrpnpiftsa-n

13. Akos015849170

14. Akos015889939

15. Cs-w015445

16. Ds-4342

17. En300-56285

18. T-9400

19. A842359

20. (s)-4-(2-amino-3 -hydroxypropyl)phenol Hydrochloride

21. 4-((s)-2-amino-3-hydroxy-propyl)-phenol Hydrochloride

22. Z203038576

23. (s)-2-amino-3-(4-hydroxyphenyl)-1-propanol Hydrochloride

2.4 Create Date
2007-07-12
3 Chemical and Physical Properties
Molecular Weight 203.66 g/mol
Molecular Formula C9H14ClNO2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area66.5
Heavy Atom Count13
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2