Cas no 657392-15-9 (1H-Pyrrol-1-amine, 3-nitro- (9CI);)
657392-15-9 structure
Product Name:1H-Pyrrol-1-amine, 3-nitro- (9CI);
CAS No:657392-15-9
MF:C4H5N3O2
MW:127.101400136948
CID:962448
PubChem ID:45078769
Update Time:2025-04-19
1H-Pyrrol-1-amine, 3-nitro- (9CI); Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrol-1-amine,3-nitro-(9CI)
- 1H-Pyrrol-1-amine, 3-nitro-
- 657392-15-9
- DB-279627
- 1H-Pyrrol-1-amine, 3-nitro- (9CI);
-
- Inchi: 1S/C4H5N3O2/c5-6-2-1-4(3-6)7(8)9/h1-3H,5H2
- InChI Key: GTRAGUVALDZRLB-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=CN(C=1)N)=O
Computed Properties
- Exact Mass: 127.03825
- Monoisotopic Mass: 127.038176411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 122
- 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: 0.2
- Topological Polar Surface Area: 76.8?2
Experimental Properties
- PSA: 74.09
1H-Pyrrol-1-amine, 3-nitro- (9CI); Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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