Cas no 17073-33-5 (Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)-)
17073-33-5 structure
Product Name:Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)-
CAS No:17073-33-5
MF:C13H27N3O3
MW:273.371783494949
CID:170652
PubChem ID:135502789
Update Time:2025-04-19
Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)- Chemical and Physical Properties
Names and Identifiers
-
- Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)-
- (-)-N-[2-(Hydroxynitrosoamino)-3-methylbutyl]octanamide
- N-[2-[hydroxy(nitroso)amino]-3-methylbutyl]octanamide
- Fragin
- OCTANAMIDE, N-(2-(HYDROXYNITROSAMINO)-3-METHYLBUTYL)-, (-)-
- 17073-33-5
- CHEBI:156352
- (Z)-hydroxyimino-[3-methyl-1-(octanoylamino)butan-2-yl]-oxidoazanium
- CHEBI:156354
- BRN 2276653
- Octanamide, N-(2-(hydroxynitrosoamino)-3-methylbutyl)-, (-)-
- N-{2-[Hydroxy(nitroso)amino]-3-methylbutyl}octanimidic acid
- DTXSID60937828
-
- Inchi: 1S/C13H27N3O3/c1-4-5-6-7-8-9-13(17)14-10-12(11(2)3)16(19)15-18/h11-12,18H,4-10H2,1-3H3,(H,14,17)/b16-15-
- InChI Key: SXMAXSCAVUEAAA-NXVVXOECSA-N
- SMILES: [O-]/[N+](/C(CNC(CCCCCCC)=O)C(C)C)=N\O
Computed Properties
- Exact Mass: 273.20541
- Monoisotopic Mass: 273.20524173g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 90.4?2
Experimental Properties
- PSA: 82
Octanamide,N-[2-(hydroxynitrosoamino)-3-methylbutyl]-, (-)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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