Cas no 812653-99-9 (4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)-)
812653-99-9 structure
Product Name:4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)-
CAS No:812653-99-9
MF:C14H15NO3
MW:245.273803949356
CID:704212
PubChem ID:71421008
Update Time:2025-04-19
4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)-
- 2-(aminomethyl)-6-methyl-3-phenylmethoxypyran-4-one
- DTXSID00840180
- 2-(Aminomethyl)-3-(benzyloxy)-6-methyl-4H-pyran-4-one
- 812653-99-9
- SCHEMBL2592753
-
- Inchi： 1S/C14H15NO3/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-7H,8-9,15H2,1H3
- InChI Key： KESMMQFLKNRPFE-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C(C=C(C)OC=1CN)=O
Computed Properties
- Exact Mass: 245.10519334g/mol
- Monoisotopic Mass: 245.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 379
- 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: 1
- Topological Polar Surface Area: 61.6?2
4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
812653-99-9 (4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)-) Related Products
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