Cas no 99969-69-4 (1H-Azepine-1-carboxaldehyde, hexahydro-2-(hydroxymethyl)- (6CI))
99969-69-4 structure
Product Name:1H-Azepine-1-carboxaldehyde, hexahydro-2-(hydroxymethyl)- (6CI)
CAS No:99969-69-4
MF:C8H15NO2
MW:157.210202455521
CID:797447
Update Time:2024-02-01
1H-Azepine-1-carboxaldehyde, hexahydro-2-(hydroxymethyl)- (6CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Azepine-1-carboxaldehyde, hexahydro-2-(hydroxymethyl)- (6CI)
- (1-formyl-hexahydro-azepin-2-yl)-methanol
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- Inchi： 1S/C8H15NO2/c10-6-8-4-2-1-3-5-9(8)7-11/h7-8,10H,1-6H2
- InChI Key： MXSOEAMXJVYLDF-UHFFFAOYSA-N
- SMILES： N1(C=O)CCCCCC1CO
Computed Properties
- Exact Mass: 157.11
- Monoisotopic Mass: 157.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 127
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5A^2
1H-Azepine-1-carboxaldehyde, hexahydro-2-(hydroxymethyl)- (6CI) Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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