Cas no 32902-87-7 (2,4,6-Trinitro-N-propylaniline)
32902-87-7 structure
Product Name:2,4,6-Trinitro-N-propylaniline
CAS No:32902-87-7
MF:C9H10N4O6
MW:270.19890165329
CID:2822307
PubChem ID:23423866
Update Time:2025-04-21
2,4,6-Trinitro-N-propylaniline Chemical and Physical Properties
Names and Identifiers
-
- DTXCID20584690
- 2,4,6-Trinitro-N-propylaniline
- DTXSID00633938
- aniline, 2,4,6-trinitro-N-propyl-
- N-(2,4,6-trinitrophenyl)-propylamine
- 32902-87-7
-
- Inchi: 1S/C9H10N4O6/c1-2-3-10-9-7(12(16)17)4-6(11(14)15)5-8(9)13(18)19/h4-5,10H,2-3H2,1H3
- InChI Key: UVGAFXXGZGNLKX-UHFFFAOYSA-N
- SMILES: [O-][N+](C1C=C(C=C(C=1NCCC)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 270.06003405Da
- Monoisotopic Mass: 270.06003405Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 335
- 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: 2.8
- Topological Polar Surface Area: 149?2
2,4,6-Trinitro-N-propylaniline Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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