Cas no 121985-97-5 (Benzeneacetonitrile, a-hydroxy-4-(1-methylethyl)-, (aR)-)
121985-97-5 structure
Product Name:Benzeneacetonitrile, a-hydroxy-4-(1-methylethyl)-, (aR)-
CAS No:121985-97-5
MF:C11H13NO
MW:175.227022886276
CID:104609
PubChem ID:14293610
Update Time:2025-04-18
Benzeneacetonitrile, a-hydroxy-4-(1-methylethyl)-, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile, a-hydroxy-4-(1-methylethyl)-, (aR)-
- Benzeneacetonitrile, alpha-hydroxy-4-(1-methylethyl)-, (alphaR)- (9CI)
- (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetonitrile
- 121985-97-5
-
- Inchi： 1S/C11H13NO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8,11,13H,1-2H3/t11-/m0/s1
- InChI Key： FLXIHTKCTUICKQ-NSHDSACASA-N
- SMILES： O[C@@H](C#N)C1C=CC(=CC=1)C(C)C
Computed Properties
- Exact Mass: 175.09979
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 195
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 44?2
Experimental Properties
- PSA: 44.02
Benzeneacetonitrile, a-hydroxy-4-(1-methylethyl)-, (aR)- Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
121985-97-5 (Benzeneacetonitrile, a-hydroxy-4-(1-methylethyl)-, (aR)-) Related Products
- 10017-04-6((R)-(+)-4-Methylmandelonitrile)
- 28549-12-4((S)-2-Hydroxy-2-phenylacetonitrile)
- 10020-96-9((R)-(+)-Mandelonitrile)
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
