Cas no 57334-45-9 (Benzenebutanamine, N-(1-methyl-2-phenylethyl)-)
57334-45-9 structure
Product Name:Benzenebutanamine, N-(1-methyl-2-phenylethyl)-
CAS No:57334-45-9
MF:C19H25N
MW:267.40850520134
CID:345740
PubChem ID:14831233
Update Time:2025-04-19
Benzenebutanamine, N-(1-methyl-2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanamine, N-(1-methyl-2-phenylethyl)-
- 4-phenyl-N-(1-phenylpropan-2-yl)butan-1-amine
- BDBM50009049
- CHEMBL12047
- 57334-45-9
- SCHEMBL8099627
- (+/-)(1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-amine; tosylate
- DTXSID80564473
- (S)(1-Methyl-2-phenyl-ethyl)-(4-phenyl-butyl)-amine; tosylate
-
- Inchi： 1S/C19H25N/c1-17(16-19-13-6-3-7-14-19)20-15-9-8-12-18-10-4-2-5-11-18/h2-7,10-11,13-14,17,20H,8-9,12,15-16H2,1H3
- InChI Key： LFAVXHNZCYGUPI-UHFFFAOYSA-N
- SMILES： N(CCCCC1C=CC=CC=1)C(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 267.19885
- Monoisotopic Mass: 267.198699802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 226
- 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
- XLogP3: 4.9
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Benzenebutanamine, N-(1-methyl-2-phenylethyl)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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