Cas no 29476-20-8 (Benzenepropanamine,N-(2-phenylethyl)-, hydrochloride (1:1))
29476-20-8 structure
Product Name:Benzenepropanamine,N-(2-phenylethyl)-, hydrochloride (1:1)
CAS No:29476-20-8
MF:C17H22ClN
MW:275.81628370285
CID:286773
PubChem ID:54603294
Update Time:2025-04-19
Benzenepropanamine,N-(2-phenylethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanamine,N-(2-phenylethyl)-, hydrochloride (1:1)
- 3-phenyl-N-(2-phenylethyl)propan-1-amine,hydrochloride
- DTXSID40713581
- 3-Phenyl-N-(2-phenylethyl)propan-1-amine--hydrogen chloride (1/1)
- NSC15538
- 29476-20-8
- NSC-15538
-
- Inchi： 1S/C17H21N.ClH/c1-3-8-16(9-4-1)12-7-14-18-15-13-17-10-5-2-6-11-17;/h1-6,8-11,18H,7,12-15H2;1H
- InChI Key： YVQAHEMWILAWFF-UHFFFAOYSA-N
- SMILES： Cl.N(CCC1C=CC=CC=1)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 239.16753
- Monoisotopic Mass: 275.1440774g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 190
- 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?2
Experimental Properties
- PSA: 12.03
Benzenepropanamine,N-(2-phenylethyl)-, hydrochloride (1:1) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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