CAS 1182822-31-6

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Also known as: Ec 696-357-0, Refchem:574384, 696-357-0, 5-amino-2,4-di-tert-butylphenyl methyl carbonate, 1182822-31-6, (5-amino-2,4-ditert-butylphenyl) methyl carbonate

Molecular Formula

C₁₆H₂₅NO₃

Molecular Weight

279.37 g/mol

InChI Key

NEMQZDZEKFZZJT-UHFFFAOYSA-N

1 2D Structure

CAS 1182822-31-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5-amino-2,4-ditert-butylphenyl) methyl carbonate

2.1.2 InChI

InChI=1S/C16H25NO3/c1-15(2,3)10-8-11(16(4,5)6)13(9-12(10)17)20-14(18)19-7/h8-9H,17H2,1-7H3

2.1.3 InChI Key

NEMQZDZEKFZZJT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Ec 696-357-0

2. Refchem:574384

3. 696-357-0

4. 5-amino-2,4-di-tert-butylphenyl Methyl Carbonate

5. 1182822-31-6

6. (5-amino-2,4-ditert-butylphenyl) Methyl Carbonate

7. Mfcd21606649

8. Carbonic Acid, 5-amino-2,4-bis(1,1-dimethylethyl)phenyl Methyl Ester

9. Schembl377054

10. Orb3144105

11. Schembl29923015

12. Dtxsid10677363

13. Nemqzdzekfzzjt-uhfffaoysa-n

14. Cs-m2266

15. Akos022173239

16. Cs-14400

17. Ns00003560

18. 5-amino-2,4-di-t-butylphenyl Methyl Carbonate

19. W16045

20. F789606

21. (5-amino-2,4-ditert-butyl-phenyl) Methyl Carbonate

2.3 Create Date

2010-11-01

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₅NO₃
Molecular Weight	279.37 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	61.6
Heavy Atom Count	20
Formal Charge	0
Complexity	341
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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