Cas no 13005-65-7 (Benzenepropanamine,N-(1-methyl-2-phenylethyl)-)
13005-65-7 structure
Product Name:Benzenepropanamine,N-(1-methyl-2-phenylethyl)-
Benzenepropanamine,N-(1-methyl-2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanamine,N-(1-methyl-2-phenylethyl)-
- stenopril
- 3-phenyl-N-(1-phenylpropan-2-yl)propan-1-amine
- alpha-Methyl-N-(3-phenylpropyl)phenethylamine
- BDBM85392
- PPAP, (-)
- AKOS005359132
- CAS_131443
- NSC_131443
- Benzenepropanamine, N-(1-methyl-2-phenylethyl)-
- 13005-65-7
- DTXSID80926577
- 1-phenyl-N-(3-phenylpropyl)propan-2-amine
- SCHEMBL18645287
-
- Inchi： 1S/C18H23N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-7,9-12,16,19H,8,13-15H2,1H3
- InChI Key： CYWPIEBWQAZHQX-UHFFFAOYSA-N
- SMILES： N(CCCC1C=CC=CC=1)C(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 253.18319
- Monoisotopic Mass: 253.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12A^2
- XLogP3: 4.5
Experimental Properties
- Density: 0.981
- Boiling Point: 381.3°Cat760mmHg
- Flash Point: 176.4°C
- Refractive Index: 1.551
- PSA: 12.03
Benzenepropanamine,N-(1-methyl-2-phenylethyl)- Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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