Cas no 62591-98-4 (2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro-)
![2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro- structure](https://ossimg.kuujia.com/scimg/63000/62591-98-4x500.png)
62591-98-4 structure
Product Name:2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro-
CAS No:62591-98-4
MF:C14H20N2O
MW:232.321403503418
CID:438917
PubChem ID:20119073
Update Time:2025-04-19
2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro-
- 1-[[4-(aminomethyl)phenyl]methyl]azepan-2-one
- AKOS000159818
- DTXSID70602717
- 62591-98-4
- 1-{[4-(Aminomethyl)phenyl]methyl}azepan-2-one
- 1-(4-(Aminomethyl)benzyl)azepan-2-one
-
- Inchi： 1S/C14H20N2O/c15-10-12-5-7-13(8-6-12)11-16-9-3-1-2-4-14(16)17/h5-8H,1-4,9-11,15H2
- InChI Key： PIDVYYQPAVQTOM-UHFFFAOYSA-N
- SMILES： O=C1CCCCCN1CC1C=CC(CN)=CC=1
Computed Properties
- Exact Mass: 232.1577
- Monoisotopic Mass: 232.157563266g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 247
- 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: 0.8
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.33
2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
62591-98-4 (2H-Azepin-2-one, 1-[[4-(aminomethyl)phenyl]methyl]hexahydro-) Related Products
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