CAS 63720-38-7

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Chemistry

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Also known as: 63720-38-7, Phenol, 3-[(1r)-1-aminoethyl]-, 518060-42-9, B-hydroxyphenylethylamine, 3-(1-amino-ethyl)-phenol, Schembl43453

Molecular Formula

C₈H₁₁NO

Molecular Weight

137.18 g/mol

InChI Key

WFRNDUQAIZJRPZ-UHFFFAOYSA-N

1 2D Structure

CAS 63720-38-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(1-aminoethyl)phenol

2.1.2 InChI

InChI=1S/C8H11NO/c1-6(9)7-3-2-4-8(10)5-7/h2-6,10H,9H2,1H3

2.1.3 InChI Key

WFRNDUQAIZJRPZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 63720-38-7

2. Phenol, 3-[(1r)-1-aminoethyl]-

3. 518060-42-9

4. B-hydroxyphenylethylamine

5. 3-(1-amino-ethyl)-phenol

6. Schembl43453

7. Schembl410862

8. 1-(3-hydroxyphenyl)ethylamine

9. 3-[(1)-1-aminoethyl]phenol

10. Albb-019157

11. Cs-m0013

12. 3-(1-aminoethyl)phenol, Aldrichcpr

13. Bbl023566

14. Stl069465

15. Akos000130192

16. Ab21156

17. Cs-14148

18. Phenol, 3-(1-aminoethyl)-, Hydrochloride

19. Db-013449

20. Bb 0255227

21. Ft-0715061

22. En300-58109

23. N12887

24. J-502194

25. J-502434

26. J-510418

2.3 Create Date

2007-02-07

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁NO
Molecular Weight	137.18 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	137.084063974 g/mol
Monoisotopic Mass	137.084063974 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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