Cas no 31820-22-1 (1-Propanamine,N,2,2-trimethyl-N-nitroso-)
31820-22-1 structure
Product Name:1-Propanamine,N,2,2-trimethyl-N-nitroso-
CAS No:31820-22-1
MF:C6H14N2O
MW:130.188161373138
CID:308111
PubChem ID:91603
Update Time:2025-04-19
1-Propanamine,N,2,2-trimethyl-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanamine,N,2,2-trimethyl-N-nitroso-
- TRM3W9BWK5
- nitroso-methyl-neopentylamine
- DTXSID50878852
- N-(2,2-dimethylpropyl)-N-methylnitrous amide
- N-NITROSO-METHYL-NEOPENTYLAMINE
- UNII-TRM3W9BWK5
- N,2,2-Trimethyl-N-nitroso-1-propylamine
- 1-propanamine, n,2,2-trimethyl-n-nitroso-
- Propylamine, N,2,2-trimethyl-N-nitroso-
- BRN 2427718
- Nitrosomethylneopentylamine
- N-NITROSOMETHYL(2,2-DIMETHYLPROPYL)AMINE
- 31820-22-1
- Methyl(neopentyl)nitrosamine
- NMNA
- CHEMBL349960
-
- Inchi： 1S/C6H14N2O/c1-6(2,3)5-8(4)7-9/h5H2,1-4H3
- InChI Key： XEAQPCFJFQRDDZ-UHFFFAOYSA-N
- SMILES： O=NN(C)CC(C)(C)C
Computed Properties
- Exact Mass: 130.11072
- Monoisotopic Mass: 130.110613
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 95.7
- 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
- Topological Polar Surface Area: 32.7
- XLogP3: 1.9
Experimental Properties
- Density: 1.0360 (rough estimate)
- Boiling Point: 240.9°C (rough estimate)
- Flash Point: 73.6°C
- Refractive Index: 1.4650 (estimate)
- PSA: 32.67
1-Propanamine,N,2,2-trimethyl-N-nitroso- Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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