Cas no 647035-70-9 (Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester)
![Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester structure](https://ossimg.kuujia.com/scimg/647500/647035-70-9x500.png)
647035-70-9 structure
Product Name:Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester
CAS No:647035-70-9
MF:C17H19NO2
MW:269.338264703751
CID:417698
PubChem ID:43217243
Update Time:2025-04-19
Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester
- methyl 4-(3-phenylpropylamino)benzoate
- SCHEMBL18326994
- AKOS009047627
- 647035-70-9
- METHYL 4-[(3-PHENYLPROPYL)AMINO]BENZOATE
- DTXSID70655728
-
- Inchi： 1S/C17H19NO2/c1-20-17(19)15-9-11-16(12-10-15)18-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12,18H,5,8,13H2,1H3
- InChI Key： MQFXEDMNAGOOEV-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=CC=1)NCCCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 269.14167
- Monoisotopic Mass: 269.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.3A^2
- XLogP3: 4.1
Experimental Properties
- PSA: 38.33
Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
647035-70-9 (Benzoic acid, 4-[(3-phenylpropyl)amino]-, methyl ester) Related Products
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