Cas no 6517-36-8 ( )
structure
Product Name:
CAS No:6517-36-8
MF:C7H16ClNO
MW:165.661041259766
CID:961587
PubChem ID:24197267
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)-3-hydroxypropanoate
- DTXSID80983741
- 6517-36-8
- NSC-255999
- NSC255999
- SCHEMBL2139284
- 4-(Propan-2-yl)morpholine--hydrogen chloride (1/1)
-
-
- Inchi： 1S/C7H15NO.ClH/c1-7(2)8-3-5-9-6-4-8;/h7H,3-6H2,1-2H3;1H
- InChI Key： DUKPEASMRWHXGI-UHFFFAOYSA-N
- SMILES： Cl.O1CCN(CC1)C(C)C
Computed Properties
- Exact Mass: 367.07836
- Monoisotopic Mass: 165.092042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 77
- 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: 12.5
Experimental Properties
- Density: 0.918
- Boiling Point: 156.3°Cat760mmHg
- Flash Point: 41.7°C
- PSA: 49.77
- LogP: 1.46690
Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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