Cas no 55621-29-9 (2-Butanol,1-(butylnitrosoamino)-)
55621-29-9 structure
Product Name:2-Butanol,1-(butylnitrosoamino)-
CAS No:55621-29-9
MF:C8H18N2O2
MW:174.240722179413
CID:374358
PubChem ID:41490
Update Time:2025-04-19
2-Butanol,1-(butylnitrosoamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanol,1-(butylnitrosoamino)-
- N-BUTYL-N-(2-HYDROXYBUTYL)NITROSAMINE
- N-butyl-N-(2-hydroxybutyl)nitrous amide
- 1-[Butyl(nitroso)amino]butan-2-ol
- 55621-29-9
- AKOS006279327
- 2-BUTANOL, 1-(BUTYLNITROSOAMINO)-
- S108M5D91F
- N-NITROSO-N-(2-HYDROXYBUTYL)BUTYLAMINE
- Q27288422
- BRN 2244575
- (2-HYDROXYBUTYL)-N-BUTYLNITROSAMINE
- UNII-S108M5D91F
- DTXSID70970963
-
- Inchi： 1S/C8H18N2O2/c1-3-5-6-10(9-12)7-8(11)4-2/h8,11H,3-7H2,1-2H3
- InChI Key： BWHWPDPMUUTEAZ-UHFFFAOYSA-N
- SMILES： OC(CC)CN(CCCC)N=O
Computed Properties
- Exact Mass: 174.13694
- Monoisotopic Mass: 174.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.0752 (rough estimate)
- Boiling Point: 305.23°C (rough estimate)
- Refractive Index: 1.4635 (estimate)
- PSA: 52.9
2-Butanol,1-(butylnitrosoamino)- Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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