Cas no 5452-78-8 ( )
structure
Product Name:
CAS No:5452-78-8
MF:C10H19NO
MW:169.263962984085
CID:941734
PubChem ID:227417
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-methylcycloheptyl)acetamide
- AC1L5FH9
- AC1Q5J75
- AR-1C7995
- CTK5A1457
- HMS3095G08
- NSC18989
- NSC-18989
- DTXSID80280888
- 5452-78-8
- CHEMBL1893387
- MLS002638635
- SMR001548106
-
-
- Inchi: 1S/C10H19NO/c1-8-3-2-4-9(6-5-8)7-10(11)12/h8-9H,2-7H2,1H3,(H2,11,12)
- InChI Key: FTLIHYMVFALFGD-UHFFFAOYSA-N
- SMILES: O=C(CC1CCCC(C)CC1)N
Computed Properties
- Exact Mass: 169.14677
- Monoisotopic Mass: 169.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 156
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- Density: 0.927
- Boiling Point: 320.4°C at 760 mmHg
- Flash Point: 147.6°C
- Refractive Index: 1.458
- PSA: 43.09
- LogP: 2.77850
Related Literature
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
Recommended suppliers
上海嶸奧生物技術(shù)有限公司
Gold Member
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
CN Supplier
Reagent
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
CN Supplier
Bulk