CAS-2449-05-0

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Also known as: 2449-05-0, Mfcd00016737, 952229-16-2, Benzyl n-phenylmethoxycarbonyliminocarbamate, Dibenzyl diazenedicarboxylate, Dsstox_cid_24887

Molecular Formula

C₁₆H₁₄N₂O₄

Molecular Weight

298.29 g/mol

InChI Key

IRJKSAIGIYODAN-UHFFFAOYSA-N

1 2D Structure

CAS 2449-05-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl N-phenylmethoxycarbonyliminocarbamate

2.1.2 InChI

InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2

2.1.3 InChI Key

IRJKSAIGIYODAN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2449-05-0

2. Mfcd00016737

3. 952229-16-2

4. Benzyl N-phenylmethoxycarbonyliminocarbamate

5. Dibenzyl Diazenedicarboxylate

6. Dsstox_cid_24887

7. Dsstox_rid_80560

8. Dsstox_gsid_44887

9. Dibenzyl Azodicarboxylate, 96%

10. Chembl3182293

11. Dtxsid3044887

12. Zinc4521175

13. Tox21_301610

14. Zinc12360038

15. Akos024348901

16. Zinc242522412

17. Dibenzyl (e)-1,2-diazenedicarboxylate

18. Ncgc00256225-01

19. Nci60_006088

20. Sy033282

21. Cas-2449-05-0

22. Db-046468

23. Ft-0624649

24. 4-chloro-2-(naphthalen-2-yl)quinoline

25. C93451

26. Q27285524

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄N₂O₄
Molecular Weight	298.29 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	298.09535693 g/mol
Monoisotopic Mass	298.09535693 g/mol
Topological Polar Surface Area	77.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	350
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1