CAS 22396-77-6

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Also known as: Refchem:515793, 607-061-8, 22396-77-6, 1-acetoxy-4-diethylamino-2-butyne, 4-(diethylamino)but-2-ynyl acetate, Mfcd00190224

Molecular Formula

C₁₀H₁₇NO₂

Molecular Weight

183.25 g/mol

InChI Key

AQEDWWHCJSXKHP-UHFFFAOYSA-N

1 2D Structure

CAS 22396-77-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(diethylamino)but-2-ynyl acetate

2.1.2 InChI

InChI=1S/C10H17NO2/c1-4-11(5-2)8-6-7-9-13-10(3)12/h4-5,8-9H2,1-3H3

2.1.3 InChI Key

AQEDWWHCJSXKHP-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Refchem:515793

2. 607-061-8

3. 22396-77-6

4. 1-acetoxy-4-diethylamino-2-butyne

5. 4-(diethylamino)but-2-ynyl Acetate

6. Mfcd00190224

7. 4-diethylamino-but-2-yn-1-yl Acetate

8. Schembl1611083

9. Dtxsid30373315

10. Akos015902214

11. 4-(diethylamino)but-2-yn-1-ylacetate

12. 4-(diethylamino)-2-butyn-1-yl Acetate

13. As-63156

14. Sy103948

15. 1-acetoxy-4-diethylamino-2-butyne, 97%

16. Ns00120180

17. St51041660

18. 2-butyn-1-ol,4-(diethylamino)-acetate(ester)

19. D97796

20. 396a776

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₇NO₂
Molecular Weight	183.25 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	29.5
Heavy Atom Count	13
Formal Charge	0
Complexity	207
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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