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Technical details about CAS 144282-37-1, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 144282-37-1, Carbamic acid, [(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester, Tert-butyl n-[(7s)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate, (s)-tert-butyl(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate, Carbamicacid,n-[(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-,1,1-dimethylethylester, Schembl9245843
Molecular Formula
C18H26N2O2
Molecular Weight
302.4  g/mol
InChI Key
UCBLMUMETZZNIZ-OAHLLOKOSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate
2.1.2 InChI
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1
2.1.3 InChI Key
UCBLMUMETZZNIZ-OAHLLOKOSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)NC1CN(CC12CC2)CC3=CC=CC=C3
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)N[C@@H]1CN(CC12CC2)CC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 144282-37-1

2. Carbamic Acid, [(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl Ester

3. Tert-butyl N-[(7s)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate

4. (s)-tert-butyl(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

5. Carbamicacid,n-[(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-,1,1-dimethylethylester

6. Schembl9245843

7. Amsp00021

8. Dtxsid30443860

9. Bcp12388

10. Mfcd17214772

11. Zinc34401723

12. Akos005762855

13. Akos015899931

14. Am85587

15. Ds-3734

16. Ac-27606

17. Cs-0042464

18. Y10155

19. A852300

20. J-502528

21. Tert-butyl (s)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

22. Carbamic Acid, N-[(7s)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl Ester

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 302.4 g/mol
Molecular Formula C18H26N2O2
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass302.199428076 g/mol
Monoisotopic Mass302.199428076 g/mol
Topological Polar Surface Area41.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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