CAS 60637-96-9

1 2D Structure

CAS 60637-96-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclobutylethanamine

2.1.2 InChI

InChI=1S/C6H13N/c1-5(7)6-3-2-4-6/h5-6H,2-4,7H2,1H3

2.1.3 InChI Key

GDGHPMLCHFTAIY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1CCC1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 60637-96-9

2. 1-cyclobutyl-ethylamine

3. 1-cyclobutylethanamine

4. Mfcd08704272

5. (1s)-1-cyclobutylethanamine

6. (1r)-1-cyclobutylethanamine

7. Dtxsid40611871

8. Akos005177565

9. Ab92192

10. Sb44687

11. Sb44688

12. Am807008

13. Sy144911

14. Db-072827

15. Cs-0055720

16. Ft-0716843

17. F8880-7359

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₃N
Molecular Weight	99.17 g/mol
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	99.104799419 g/mol
Monoisotopic Mass	99.104799419 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	57.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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