Cas no 2224-37-5 (2-Pentanol, 1-nitro-)
2-Pentanol, 1-nitro- structure
Product Name:2-Pentanol, 1-nitro-
CAS No:2224-37-5
MF:C5H11NO3
MW:133.145741701126
CID:281566
PubChem ID:226820
Update Time:2025-04-19
2-Pentanol, 1-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanol, 1-nitro-
- 1-nitropentan-2-ol
- 1-Nitro-2-pentanol
- 1-nitro-pentan-2-ol
- 1-Nitro-pentanol-(2)
- 2-Hydroxy-1-nitro-pentan
- AC1L5F1J
- AC1Q21T8
- AG-E-62576
- AR-1C4897
- CTK1A6368
- Nitromethyl-propyl-carbinol
- NSC17681
- SCHEMBL2460939
- 1-nitropentanol-2
- 2224-37-5
- NSC 17681
- NSC-17681
- DTXSID10280614
- DS-004331
-
- Inchi： 1S/C5H11NO3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3
- InChI Key： ACNMOTQCLBFDMQ-UHFFFAOYSA-N
- SMILES： OC(C[N+](=O)[O-])CCC
Computed Properties
- Exact Mass: 133.07393
- Monoisotopic Mass: 133.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 88.7
- 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: 0.7
- Topological Polar Surface Area: 66?2
Experimental Properties
- Density: 1.0847
- Boiling Point: 270.66°C (rough estimate)
- Flash Point: 99.1°C
- Refractive Index: 1.4493
- PSA: 63.37
- LogP: 0.94730
2-Pentanol, 1-nitro- Related Literature
-
Sowmyalakshmi Venkataraman,Anju Chadha RSC Adv. 2015 5 73807
-
Xiaoxiao Yu,Bianca Pérez,Zhefei Zhang,Renjun Gao,Zheng Guo Green Chem. 2016 18 2753
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