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Also known as: 771-91-5, 4-[(1r,2s)-2-amino-1-hydroxypropyl]phenol, 4-hydroxynorephedrine, O6914l7189, (1r,2s)-2-amino-1-(4-hydroxyphenyl)propan-1-ol, 4-((1r,2s)-2-amino-1-hydroxypropyl)phenol
Molecular Formula
C9H13NO2
Molecular Weight
167.20  g/mol
InChI Key
JAYBQRKXEFDRER-RCOVLWMOSA-N
FDA UNII
O6914L7189

CAS 771-91-5
1 2D Structure

CAS 771-91-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(1R,2S)-2-amino-1-hydroxypropyl]phenol
2.1.2 InChI
InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m0/s1
2.1.3 InChI Key
JAYBQRKXEFDRER-RCOVLWMOSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=C(C=C1)O)O)N
2.1.5 Isomeric SMILES
C[C@@H]([C@@H](C1=CC=C(C=C1)O)O)N
2.2 Other Identifiers
2.2.1 UNII
O6914L7189
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 771-91-5

2. 4-[(1r,2s)-2-amino-1-hydroxypropyl]phenol

3. 4-hydroxynorephedrine

4. O6914l7189

5. (1r,2s)-2-amino-1-(4-hydroxyphenyl)propan-1-ol

6. 4-((1r,2s)-2-amino-1-hydroxypropyl)phenol

7. Unii-o6914l7189

8. (-)-4-hydroxynorephedrine

9. Schembl2252628

10. Chembl1160700

11. Norephedrine, P-hydroxy-

12. (-)-p-hydroxynorephedrine

13. Chebi:193721

14. Zinc154799

15. Benzenemethanol, Alpha-(1-aminoethyl)-4-hydroxy-, (r-(r*,s*))-

16. Benzyl Alcohol, .alpha.-(1-aminoethyl)-p-hydroxy-, (-)-erythro-

17. 4-[(1r,2s)-2-amino-1-hydroxypropyl]-phenol

18. 4-((2s)-2-amino-(1r)-1-hydroxypropyl)phenol

19. 771h915

20. (1r,2s)-1-(4-hydroxyphenyl)-2-amino-1-propanol

21. (1r, 2s)-2-amino-1-(4-hydroxyphenyl)propan-1-ol

22. (1r,2s)-2-amino-1-(4-hydroxyphenyl)-propan-1-ol

23. Benzenemethanol, .alpha.-((1s)-1-aminoethyl)-4-hydroxy-, (.alpha.r)-

2.4 Create Date
2006-07-28
3 Chemical and Physical Properties
Molecular Weight 167.20 g/mol
Molecular Formula C9H13NO2
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass167.094628657 g/mol
Monoisotopic Mass167.094628657 g/mol
Topological Polar Surface Area66.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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