Cas no 5443-51-6 ( )
structure
Product Name:
CAS No:5443-51-6
MF:C11H16ClN
MW:197.704442024231
CID:941237
PubChem ID:6506587
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (E)-N,N-dimethyl-3-phenylprop-2-en-1-amine,hydrochloride
- AC1O6TI8
- CHEMBL543909
- Cinnamyl-dimethyl-amin, Hydrochlorid
- cinnamyl-dimethyl-amine, hydrochloride
- NSC19809
- AKOS024325115
- 5443-51-6
- N,N-DIMETHYL-3-PHENYL-2-PROPENAMINE HYDROCHLORIDE
- NSC-19809
- DTXSID00424722
-
-
- Inchi： 1S/C11H15N.ClH/c1-12(2)10-6-9-11-7-4-3-5-8-11;/h3-9H,10H2,1-2H3;1H/b9-6+;
- InChI Key： AOHWTKAZWYSYBL-MLBSPLJJSA-N
- SMILES： Cl.N(C)(C)C/C=C/C1C=CC=CC=1
Computed Properties
- Exact Mass: 161.12055
- Monoisotopic Mass: 197.0971272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 132
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
- LogP: 3.06340
Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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