Valsynthese

CAS 544-16-1

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 544-16-1, N-butyl nitrite, 1-butyl nitrite, Nitrous acid, butyl ester, Nitrous acid butyl ester, Nitrous acid, n-butyl ester

Molecular Formula

C₄H₉NO₂

Molecular Weight

103.12 g/mol

InChI Key

JQJPBYFTQAANLE-UHFFFAOYSA-N

FDA UNII

44P8QG0F3T

1 2D Structure

CAS 544-16-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butyl nitrite

2.1.2 InChI

InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3

2.1.3 InChI Key

JQJPBYFTQAANLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCON=O

2.2 Other Identifiers

2.2.1 UNII

44P8QG0F3T

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-butyl Nitrite

2. N-butyl Nitrite, 15n-labeled

2.3.2 Depositor-Supplied Synonyms

1. 544-16-1

2. N-butyl Nitrite

3. 1-butyl Nitrite

4. Nitrous Acid, Butyl Ester

5. Nitrous Acid Butyl Ester

6. Nitrous Acid, N-butyl Ester

7. N-butylnitrite

8. Butylnitrite

9. Nci-c56553

10. Nsc 8426

11. N-c4h9ono

12. Butyl Ester Of Nitrous Acid

13. 44p8qg0f3t

14. Nsc-8426

15. Ccris 838

16. Einecs 208-862-1

17. Brn 1701036

18. Unii-44p8qg0f3t

19. Ai3-15310

20. Nitrous Acid Butyl

21. Butyl Nitrite, 95%

22. Butyl Nitrite(technical)

23. T-butyl-2-bromobutanoate

24. Dsstox_cid_29378

25. Dsstox_rid_83493

26. Dsstox_gsid_49418

27. N-butyl Nitrite [mi]

28. Schembl166345

29. Butyl Nitrite [mart.]

30. Chembl3181968

31. Dtxsid8049418

32. Jqjpbyftqaanle-uhfffaoysa-

33. Amy4016

34. Nsc8426

35. Chebi:173360

36. Zinc4262304

37. Tox21_202927

38. Mfcd00002058

39. Stl280334

40. Akos015995388

41. Un 2351

42. Ncgc00260473-01

43. Bp-20316

44. Cas-544-16-1

45. Ls-13006

46. Db-000272

47. N0376

48. A830171

49. J-519967

50. J-802250

51. Q3342208

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NO₂
Molecular Weight	103.12 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	103.063328530 g/mol
Monoisotopic Mass	103.063328530 g/mol
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	47
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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n-Butyl nitrite

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CAS Number

544-16-1

End Use API

Valsynthese, a privately held CDMO, is a member of the SSE Group. Headquartered in Brig, Switzerland, it ...

Valsynthese, a privately held CDMO, is a member of the SSE Group. Headquartered in Brig, Switzerland, it has a broad international reach. With over a century of experience in highly hazardous and energetic chemistry, it has the expertise to develop fine chemical projects and has established the capability to produce key chemical intermediates and APIs under GMP and ISO certification. Valsynthese is regarded as one of Europe's most experienced CDMO chemical producers. It offers a variety of projects, ranging from lab procedures to tonne-scale manufacturing. It supplies its customers with high-quality products at competitive prices.