Cas no 54378-50-6 ((4bS,8aS,9R)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine hydrochloride (1:1))
54378-50-6 structure
Product Name:(4bS,8aS,9R)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine hydrochloride (1:1)
CAS No:54378-50-6
MF:C14H20ClN
MW:237.76830291748
CID:1588730
PubChem ID:191319
Update Time:2025-04-21
(4bS,8aS,9R)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- (4bS,8aS,9R)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine hydrochloride (1:1)
- 9-Phenanthrenamine, 4b,5,6,7,8,8a,9,10-octahydro-, hydrochloride, (4balpha,8abeta,9alpha)-
- (4bS,8aS,9R)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine;hydrochloride
- 4b,5,6,7,8,8a,9,10-Octahydrophenanthren-9-amine--hydrogen chloride (1/1)
- DTXSID40969485
- 54378-50-6
- 10-Amino-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
-
- Inchi： 1S/C14H19N.ClH/c15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14;/h1-2,5-6,12-14H,3-4,7-9,15H2;1H/t12-,13+,14-;/m1./s1
- InChI Key： JSVSEEIJTQQDDD-FPFZOWOXSA-N
- SMILES： Cl.N[C@@H]1CC2C=CC=CC=2[C@H]2CCCC[C@@H]21
Computed Properties
- Exact Mass: 237.1286
- Monoisotopic Mass: 237.128
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 225
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26?2
Experimental Properties
- Boiling Point: 324°C at 760 mmHg
- Flash Point: 156.4°C
- PSA: 26.02
(4bS,8aS,9R)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine hydrochloride (1:1) Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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