Cas no 117007-36-0 (1-Propanone,3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-, hydrochloride (1:1))
117007-36-0 structure
Product Name:1-Propanone,3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-, hydrochloride (1:1)
CAS No:117007-36-0
MF:C13H27ClN2O5
MW:326.816883325577
CID:147521
PubChem ID:3088169
Update Time:2025-04-19
1-Propanone,3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-, hydrochloride (1:1)
- 3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)propan-1-one,hydrochloride
- 1,4,7,10-Tetraoxa-13-azacyclopentadecane, 13-(3-amino-1-oxopropyl)-, monohydrochloride
- 13-(3-Amino-1-oxopropyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane monohydrochloride
- DTXSID80151665
- N-(beta-Alanyl)aza-15-crown-5 hydrochloride
- 117007-36-0
-
- Inchi： 1S/C13H26N2O5.ClH/c14-2-1-13(16)15-3-5-17-7-9-19-11-12-20-10-8-18-6-4-15;/h1-12,14H2;1H
- InChI Key： VQZWHYMMXQXBFC-UHFFFAOYSA-N
- SMILES： Cl.O1CCOCCOCCOCCN(C(CCN)=O)CC1
Computed Properties
- Exact Mass: 326.16101
- Monoisotopic Mass: 326.161
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 83.2?2
Experimental Properties
- Boiling Point: 486.4°C at 760 mmHg
- Flash Point: 247.9°C
- PSA: 83.25
1-Propanone,3-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-, hydrochloride (1:1) Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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