Cas no 1215-24-3 (Isoxazole,3-phenyl-5-(1-pyrrolidinylmethyl)-, hydrochloride (1:1))
1215-24-3 structure
Product Name:Isoxazole,3-phenyl-5-(1-pyrrolidinylmethyl)-, hydrochloride (1:1)
CAS No:1215-24-3
MF:C14H17ClN2O
MW:264.750582456589
CID:172252
PubChem ID:14616
Update Time:2025-04-19
Isoxazole,3-phenyl-5-(1-pyrrolidinylmethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,3-phenyl-5-(1-pyrrolidinylmethyl)-, hydrochloride (1:1)
- 3-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2-oxazole,chloride
- Isoxazole, 3-phenyl-5-(pyrrolidinomethyl)-, hydrochloride
- ISOXAZOLE, 3-PHENYL-5-(1-PYRROLIDINYLMETHYL)-, HYDROCHLORIDE
- 1215-24-3
- Phenyl-5-(pyrrolidinomethyl)isoxazole hydrochloride
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- Inchi： 1S/C14H16N2O.ClH/c1-2-6-12(7-3-1)14-10-13(17-15-14)11-16-8-4-5-9-16;/h1-3,6-7,10H,4-5,8-9,11H2;1H
- InChI Key： LNXLLTBNBPLPGO-UHFFFAOYSA-N
- SMILES： [Cl-].O1C(=CC(C2C=CC=CC=2)=N1)C[NH+]1CCCC1
Computed Properties
- Exact Mass: 246.97
- Monoisotopic Mass: 264.1029409g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 234
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 31.93
Isoxazole,3-phenyl-5-(1-pyrrolidinylmethyl)-, hydrochloride (1:1) Related Literature
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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