Cas no 50597-30-3 (2-Propanol, 2-methyl-1-(methylnitrosoamino)-)
50597-30-3 structure
Product Name:2-Propanol, 2-methyl-1-(methylnitrosoamino)-
CAS No:50597-30-3
MF:C5H12N2O2
MW:132.160981178284
CID:336556
PubChem ID:54181244
Update Time:2025-04-19
2-Propanol, 2-methyl-1-(methylnitrosoamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol, 2-methyl-1-(methylnitrosoamino)-
- N-(2-hydroxy-2-methylpropyl)-N-methylnitrous amide
- 50597-30-3
- DTXSID50709591
-
- Inchi： 1S/C5H12N2O2/c1-5(2,8)4-7(3)6-9/h8H,4H2,1-3H3
- InChI Key： PBYJJIHCHXKCAT-UHFFFAOYSA-N
- SMILES： OC(C)(C)CN(C)N=O
Computed Properties
- Exact Mass: 132.089877630g/mol
- Monoisotopic Mass: 132.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 103
- 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: 0.1
- Topological Polar Surface Area: 52.9?2
2-Propanol, 2-methyl-1-(methylnitrosoamino)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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