Cas no 88830-21-1 (1,2,4-Benzenetricarbonitrile, 5-(1-methylethyl)-)
88830-21-1 structure
Product Name:1,2,4-Benzenetricarbonitrile, 5-(1-methylethyl)-
CAS No:88830-21-1
MF:C12H9N3
MW:195.219961881638
CID:621011
PubChem ID:11819988
Update Time:2025-04-19
1,2,4-Benzenetricarbonitrile, 5-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Benzenetricarbonitrile, 5-(1-methylethyl)-
- 5-propan-2-ylbenzene-1,2,4-tricarbonitrile
- DTXSID00473750
- 88830-21-1
-
- Inchi： 1S/C12H9N3/c1-8(2)12-4-10(6-14)9(5-13)3-11(12)7-15/h3-4,8H,1-2H3
- InChI Key： VQOHGRPRXTZVAQ-UHFFFAOYSA-N
- SMILES： N#CC1C=C(C#N)C(C#N)=CC=1C(C)C
Computed Properties
- Exact Mass: 195.079647300g/mol
- Monoisotopic Mass: 195.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 369
- 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: 2.2
- Topological Polar Surface Area: 71.4?2
1,2,4-Benzenetricarbonitrile, 5-(1-methylethyl)- Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
88830-21-1 (1,2,4-Benzenetricarbonitrile, 5-(1-methylethyl)-) Related Products
- 34136-59-9(2-Ethylbenzonitrile)
- 175278-32-7(2-Ethylterephthalonitrile)
- 95881-22-4(Benzonitrile,2-ethyl-6-methyl-)
- 32703-80-3(4-(tert-Butyl)phthalonitrile)
- 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)
Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
SunaTech Inc.
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
