Cas no 75411-83-5 (2-Propanol,1-(methylnitrosoamino)-)
75411-83-5 structure
Product Name:2-Propanol,1-(methylnitrosoamino)-
CAS No:75411-83-5
MF:C4H10N2O2
MW:118.134400844574
CID:566755
PubChem ID:107719
Update Time:2025-04-19
2-Propanol,1-(methylnitrosoamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanol,1-(methylnitrosoamino)-
- 2-Hydroxypropylmethylnitrosamine
- N-nitrosomethyl-2-hydroxypropylamine
- BIS(TERTBUTYLCYCLOPENTADIENYL) TIANIUM DICHLORIDE
- 70377-77-4
- NMHP
- UNII-8ES3UE4777
- CCRIS 2015
- 8ES3UE4777
- 2-Propanol, 1-(methylnitrosoamino)-
- 1-[methyl(nitroso)amino]propan-2-ol
- BRN 4955027
- N-Nitrosomethyl(2-hydroxypropyl)amine
- CCRIS 3213
- N-(2-hydroxypropyl)-N-methylnitrous amide
- nitroso-methyl-2-hydroxypropylamine
- 75411-83-5
- Methyl-2-hydroxypropylnitrosamine
- 1-(Methylnitrosoamino)-2-propanol
- 2-Propanol, 1-(methylnitrosoamino)-, (S)-
- DTXSID5021047
- AKOS006275495
-
- Inchi： 1S/C4H10N2O2/c1-4(7)3-6(2)5-8/h4,7H,3H2,1-2H3
- InChI Key： SJPQUECDNWANFT-UHFFFAOYSA-N
- SMILES： OC(C)CN(C)N=O
Computed Properties
- Exact Mass: 118.074
- Monoisotopic Mass: 118.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 76.4
- 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: -0.1
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 1.2188 (rough estimate)
- Boiling Point: 220.67°C (rough estimate)
- Flash Point: 112.5°C
- Refractive Index: 1.4386 (estimate)
2-Propanol,1-(methylnitrosoamino)- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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