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CAS 873055-58-4 manufacturers and suppliers on PharmaCompass

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CAS 873055-58-4
Also known as: 873055-58-4, 5-amino-2,4-ditert-butylphenol, 5-amino-2,4-di-tert-butyl-phenol, Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-, 8vr88q6fav, 5-amino-2,4-di-tert-butyl phenol
Molecular Formula
C14H23NO
Molecular Weight
221.34  g/mol
InChI Key
BKSDHPHOWDUJNB-UHFFFAOYSA-N
FDA UNII
8VR88Q6FAV

1 2D Structure

CAS 873055-58-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-2,4-ditert-butylphenol
2.1.2 InChI
InChI=1S/C14H23NO/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h7-8,16H,15H2,1-6H3
2.1.3 InChI Key
BKSDHPHOWDUJNB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)C1=CC(=C(C=C1N)O)C(C)(C)C
2.2 Other Identifiers
2.2.1 UNII
8VR88Q6FAV
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 873055-58-4

2. 5-amino-2,4-ditert-butylphenol

3. 5-amino-2,4-di-tert-butyl-phenol

4. Phenol, 5-amino-2,4-bis(1,1-dimethylethyl)-

5. 8vr88q6fav

6. 5-amino-2,4-di-tert-butyl Phenol

7. 5-amino-2,4-bis(1,1-dimethylethyl)phenol

8. Unii-8vr88q6fav

9. Schembl396873

10. Dtxsid40657693

11. Amy40455

12. Bcp11758

13. Yjb05558

14. Mfcd11052607

15. Sb17738

16. As-41569

17. Cs-0009369

18. Ec-000.2110

19. A862684

2.4 Create Date
2009-08-26
3 Chemical and Physical Properties
Molecular Weight 221.34 g/mol
Molecular Formula C14H23NO
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area46.2
Heavy Atom Count16
Formal Charge0
Complexity236
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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