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Also known as: 61445-55-4, 4-[methyl(nitroso)amino]butanoic acid, N-methyl-n-(3-carboxypropyl)nitrosamine, Nitrosomethyl-3-carboxypropylamine, 4-(n-nitroso-n-methylamino)butyric acid, 4-(methylnitrosoamino)butanoic acid

Molecular Formula

C₅H₁₀N₂O₃

Molecular Weight

146.14 g/mol

InChI Key

SJLBIPLIGYWGJV-UHFFFAOYSA-N

FDA UNII

7K7252TZ54

1 2D Structure

N-Nitroso-N-Methyl-4-Aminobutyric Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[methyl(nitroso)amino]butanoic acid

2.1.2 InChI

InChI=1S/C5H10N2O3/c1-7(6-10)4-2-3-5(8)9/h2-4H2,1H3,(H,8,9)

2.1.3 InChI Key

SJLBIPLIGYWGJV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(CCCC(=O)O)N=O

2.2 Other Identifiers

2.2.1 UNII

7K7252TZ54

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(n-nitroso-n-methylamino)butyric Acid

2. Nitrosomethyl-3-carboxypropylamine

3. Nnmab

2.3.2 Depositor-Supplied Synonyms

1. 61445-55-4

2. 4-[methyl(nitroso)amino]butanoic Acid

3. N-methyl-n-(3-carboxypropyl)nitrosamine

4. Nitrosomethyl-3-carboxypropylamine

5. 4-(n-nitroso-n-methylamino)butyric Acid

6. 4-(methylnitrosoamino)butanoic Acid

7. N-nitrosomethyl-3-carboxypropylamine

8. 7k7252tz54

9. Ccris 1123

10. 4-(methyl(nitroso)amino)butanoic Acid

11. Brn 2245230

12. N-nitroso-n-methyl-4-aminobutyricacid

13. Butanoic Acid,4-(methylnitrosoamino)-

14. Butyric Acid, 4-(methylnitrosoamino)-

15. N-nitrosomethylaminobutyric Acid

16. Dtxsid7040239

17. Schembl19463993

18. Unii-7k7252tz54

19. 4-(methylnitrosamino)butyric Acid

20. Chebi:176579

21. Nitroso-methyl-3-carboxypropylamine

22. Amy30252

23. Zinc5698935

24. Mfcd00869939

25. Akos006273157

26. As-63516

27. Nmba (losartan Potassium Impurity)

28. Ft-0672964

29. Ft-0672965

30. D93527

31. N-nitrosomethylaminobutyric Acid [usp-rs]

32. A937116

33. Methyl-n-(3-carboxypropyl)nitrosamine, N-

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀N₂O₃
Molecular Weight	146.14 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	146.06914219 g/mol
Monoisotopic Mass	146.06914219 g/mol
Topological Polar Surface Area	70 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	126
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