Cas no 402956-36-9 (Benzenamine, 3,5-diethynyl- (9CI))
402956-36-9 structure
Product Name:Benzenamine, 3,5-diethynyl- (9CI)
CAS No:402956-36-9
MF:C10H7N
MW:141.169282197952
CID:925614
PubChem ID:11171024
Update Time:2025-04-19
Benzenamine, 3,5-diethynyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 3,5-diethynyl- (9CI)
- 3,5-diethynylaniline
- SCHEMBL689915
- Benzenamine,3,5-diethynyl-(9ci)
- 402956-36-9
- DB-285080
- DTXSID90457509
- AKOS006361139
- BENZENAMINE, 3,5-DIETHYNYL-
-
- Inchi： 1S/C10H7N/c1-3-8-5-9(4-2)7-10(11)6-8/h1-2,5-7H,11H2
- InChI Key： XRGBJBOYNHXWPA-UHFFFAOYSA-N
- SMILES： NC1C=C(C#C)C=C(C#C)C=1
Computed Properties
- Exact Mass: 141.057849228g/mol
- Monoisotopic Mass: 141.057849228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 200
- 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: 1.7
- Topological Polar Surface Area: 26?2
Benzenamine, 3,5-diethynyl- (9CI) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
402956-36-9 (Benzenamine, 3,5-diethynyl- (9CI)) Related Products
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- 14235-81-5(4-Ethynylaniline)
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- 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)
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