nitrosoamine

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Also known as: Nitrosamide, Nitrous amide, 35576-91-1, Lgb75a6poh, Nsc-223080, Nitrosamines

Molecular Formula

H₂N₂O

Molecular Weight

46.029 g/mol

InChI Key

XKLJHFLUAHKGGU-UHFFFAOYSA-N

FDA UNII

LGB75A6POH

A class of compounds that contain a -NH2 and a -NO radical. Many members of this group have carcinogenic and mutagenic properties.

1 2D Structure

nitrosoamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

nitrous amide

2.1.2 InChI

InChI=1S/H2N2O/c1-2-3/h(H2,1,3)

2.1.3 InChI Key

XKLJHFLUAHKGGU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

NN=O

2.2 Other Identifiers

2.2.1 UNII

LGB75A6POH

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Nitrosamines

2.3.2 Depositor-Supplied Synonyms

1. Nitrosamide

2. Nitrous Amide

3. 35576-91-1

4. Lgb75a6poh

5. Nsc-223080

6. Nitrosamines

7. Hydroxydiazene

8. Ketohydrazine

9. Hydroxydiimine

10. Nitsoamide

11. Diazene-n-oxide

12. Hydroxydiimide

13. Nitroxylamide

14. Nsc 223080

15. N-nitrosamine

16. Unii-lgb75a6poh

17. Nitrosamine-(h2n-n=o)

18. Dtxsid2074037

19. Nitrosamine (h2n-n=0)

20. Nsc223080

21. Q26841290

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	H₂N₂O
Molecular Weight	46.029 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	46.016712692 g/mol
Monoisotopic Mass	46.016712692 g/mol
Topological Polar Surface Area	55.4 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	10.3
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