Cas no 53219-58-2 (1(2H)-Azocinamine, hexahydro-)
1(2H)-Azocinamine, hexahydro- structure
Product Name:1(2H)-Azocinamine, hexahydro-
CAS No:53219-58-2
MF:C7H16N2
MW:128.215341567993
CID:357772
PubChem ID:12931574
Update Time:2025-04-19
1(2H)-Azocinamine, hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Azocinamine, hexahydro-
- azocan-1-amine
- SCHEMBL2253570
- DTXSID90513275
- 53219-58-2
- AKOS018597856
-
- Inchi： 1S/C7H16N2/c8-9-6-4-2-1-3-5-7-9/h1-8H2
- InChI Key： YPOSHCOUCWHTEM-UHFFFAOYSA-N
- SMILES： N1(CCCCCCC1)N
Computed Properties
- Exact Mass: 128.13148
- Monoisotopic Mass: 128.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 65.3
- 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: 0.6
- Topological Polar Surface Area: 29.3?2
Experimental Properties
- PSA: 29.26
1(2H)-Azocinamine, hexahydro- Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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