Cas no 51938-14-8 (Ethanol,2-(butylnitrosoamino)-)
51938-14-8 structure
Product Name:Ethanol,2-(butylnitrosoamino)-
CAS No:51938-14-8
MF:C6H14N2O2
MW:146.187561511993
CID:367881
PubChem ID:91646
Update Time:2025-04-19
Ethanol,2-(butylnitrosoamino)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2-(butylnitrosoamino)-
- butyl(2-hydroxyethyl)nitrosamine
- 2-[Butyl(nitroso)amino]ethanol
- 51938-14-8
- SCHEMBL4732004
- CCRIS 837
- BRN 2324446
- N-butyl-N-(2-hydroxyethyl)nitrous amide
- BHEN
- DTXSID70966260
- 2-(Butylnitrosoamino)ethanol
- N-Butyl-N-(2-hydroxyethyl)nitrosamine
- Ethanol, 2-(butylnitrosoamino)-
- CHEMBL164396
- Butyl(2-hydroxyethyl)nitrosoamine
- 93YT6CZE75
- 2-(Butylnitrosamino)ethanol
- Ethanol, 2-(butylnitrosamino)-
- Butyl-N-(2-hydroxyethyl)nitrosamine, N-
-
- Inchi： 1S/C6H14N2O2/c1-2-3-4-8(7-10)5-6-9/h9H,2-6H2,1H3
- InChI Key： BQGYHQOWXOZWOJ-UHFFFAOYSA-N
- SMILES： OCCN(CCCC)N=O
Computed Properties
- Exact Mass: 146.10562
- Monoisotopic Mass: 146.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 87.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.1360 (rough estimate)
- Boiling Point: 265.81°C (rough estimate)
- Refractive Index: 1.4650 (estimate)
- PSA: 52.9
Ethanol,2-(butylnitrosoamino)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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