CAS 1104083-23-9 manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: 1104083-23-9, 1-boc-3-hydroxy-3-methylazetidine, 3-hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester, Mfcd16037112, 1-azetidinecarboxylic acid, 3-hydroxy-3-methyl-,1,1-dimethylethyl ester, Tert-butyl3-hydroxy-3-methylazetidine-1-carboxylate
Molecular Formula
C9H17NO3
Molecular Weight
187.24  g/mol
InChI Key
DBJZEDYSQQXOOF-UHFFFAOYSA-N

CAS 1104083-23-9
1 2D Structure

CAS 1104083-23-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate
2.1.2 InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3
2.1.3 InChI Key
DBJZEDYSQQXOOF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1104083-23-9

2. 1-boc-3-hydroxy-3-methylazetidine

3. 3-hydroxy-3-methyl-azetidine-1-carboxylic Acid Tert-butyl Ester

4. Mfcd16037112

5. 1-azetidinecarboxylic Acid, 3-hydroxy-3-methyl-,1,1-dimethylethyl Ester

6. Tert-butyl3-hydroxy-3-methylazetidine-1-carboxylate

7. Amot0388

8. Lczc3893

9. Schembl2280402

10. Dtxsid50716462

11. N-boc-3-hydroxy-3-methylazetidine

12. Zinc72294354

13. Akos014316246

14. Cs-w022996

15. Ds-4509

16. Pb18150

17. Am802924

18. Sy042113

19. A894902

20. F8881-6254

21. Z1335657801

2.3 Create Date
2011-12-30
3 Chemical and Physical Properties
Molecular Weight 187.24 g/mol
Molecular Formula C9H17NO3
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass187.12084340 g/mol
Monoisotopic Mass187.12084340 g/mol
Topological Polar Surface Area49.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity213
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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