Cas no 674791-94-7 ( )
structure
Product Name:
CAS No:674791-94-7
MF:C14H22N2
MW:218.337883472443
CID:966095
PubChem ID:29923125
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (R)-1-benzyl-3-isopropylpiperazine
- Piperazine, 3-(1-methylethyl)-1-(phenylmethyl)-, (3R)-
- 674791-94-7
- (3R)-1-benzyl-3-propan-2-ylpiperazine
- A26347
- CS-0183907
- (3R)-1-Benzyl-3-(propan-2-yl)piperazine
- SCHEMBL14085915
- DTXSID30652213
- (R)-4-Benzyl-2-Isopropyl-Piperazine
-
-
- Inchi： 1S/C14H22N2/c1-12(2)14-11-16(9-8-15-14)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t14-/m0/s1
- InChI Key： HPOGZEGDXGTDSX-AWEZNQCLSA-N
- SMILES： N1(CC2C=CC=CC=2)CCN[C@H](C(C)C)C1
Computed Properties
- Exact Mass: 218.178298710g/mol
- Monoisotopic Mass: 218.178298710g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 197
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 15.3?2
Experimental Properties
- Density: 0.974
- Boiling Point: 310℃
- Flash Point: 113℃
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
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