Cas no 13657-24-4 (1H-Azepine,1-(3,3-diphenylpropyl)hexahydro-, hydrochloride (1:1))
13657-24-4 structure
Product Name:1H-Azepine,1-(3,3-diphenylpropyl)hexahydro-, hydrochloride (1:1)
CAS No:13657-24-4
MF:C21H28ClN
MW:329.90672492981
CID:119821
PubChem ID:3084164
Update Time:2025-04-18
1H-Azepine,1-(3,3-diphenylpropyl)hexahydro-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Azepine,1-(3,3-diphenylpropyl)hexahydro-, hydrochloride (1:1)
- 1-(3,3-diphenylpropyl)hexahydro-1H-azepinium chloride
- 1-(3,3-diphenylpropyl)azepane hydrochloride
- HEXAMETHYLENIMINE, 1-(3,3-DIPHENYLPROPYL)-, HYDROCHLORIDE
- HEXADIPHANE HYDROCHLORIDE
- Prozapine hydrochloride
- PROZAPINE HYDROCHLORIDE [WHO-DD]
- 1H-AZEPINE, 1-(3,3-DIPHENYLPROPYL)HEXAHYDRO-, HYDROCHLORIDE (1:1)
- DTXSID40929483
- 1H-Azepine, 1-(3,3-diphenylpropyl)hexahydro-, hydrochloride
- UNII-J2011D9N1X
- 1-(3,3-Diphenylpropyl)azepane--hydrogen chloride (1/1)
- Q27281040
- J2011D9N1X
- 13657-24-4
- SCHEMBL365642
- EINECS 237-143-5
-
- Inchi： 1S/C21H27N.ClH/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h3-8,11-14,21H,1-2,9-10,15-18H2;1H
- InChI Key： FQPKTVQUKHWXFF-UHFFFAOYSA-N
- SMILES： Cl.N1(CCC(C2C=CC=CC=2)C2C=CC=CC=2)CCCCCC1
Computed Properties
- Exact Mass: 329.191
- Monoisotopic Mass: 329.191
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 262
- 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: 3.2?2
Experimental Properties
- Density: 0.998
- Boiling Point: 428.2°Cat760mmHg
- Flash Point: 188.7°C
1H-Azepine,1-(3,3-diphenylpropyl)hexahydro-, hydrochloride (1:1) Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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3. 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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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
13657-24-4 (1H-Azepine,1-(3,3-diphenylpropyl)hexahydro-, hydrochloride (1:1)) Related Products
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