Cas no 72570-91-3 ( )
structure
Product Name:
CAS No:72570-91-3
MF:C15H19NO3
MW:261.316264390945
CID:977340
PubChem ID:6380660
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- NSC289340
- DTXSID60422966
- 72570-91-3
- NSC-289340
-
-
- Inchi： 1S/C15H19NO3/c1-2-3-4-5-6-15(17)12-9-13-7-10-14(11-8-13)16(18)19/h7-12H,2-6H2,1H3/b12-9+
- InChI Key： VHZQYFKHTUZOIT-FMIVXFBMSA-N
- SMILES： O=C(/C=C/C1C=CC(=CC=1)[N+](=O)[O-])CCCCCC
Computed Properties
- Exact Mass: 261.13657
- Monoisotopic Mass: 261.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 312
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 62.9?2
Experimental Properties
- Density: 1.096
- Boiling Point: 388.9°C at 760 mmHg
- Flash Point: 170°C
- Refractive Index: 1.554
- PSA: 60.21
- LogP: 4.67070
Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
72570-91-3 ( ) Related Products
- 3490-37-7(4-(p-Nitrophenyl)-3-butene-2-one)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
