Cas no 99665-04-0 ((2S)-1-(4-Iodo-2,5-dimethoxyphenyl)propan-2-amine)
99665-04-0 structure
Product Name:(2S)-1-(4-Iodo-2,5-dimethoxyphenyl)propan-2-amine
CAS No:99665-04-0
MF:C11H16INO2
MW:321.154715538025
CID:2654459
Update Time:2023-08-07
(2S)-1-(4-Iodo-2,5-dimethoxyphenyl)propan-2-amine Chemical and Physical Properties
Names and Identifiers
-
- (+)-DOI
- GTPL153
- (2S)-1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine
- BDBM50222219
- PDSP2_001563
- PDSP1_001579
- Benzeneethanamine, 4-iodo-2,5-dimethoxy-alpha-methyl-, (alphaS)-
- (S)-1-(2,5-Dimethoxy-4-iodophenyl)-2-aminopropane
- Q27077095
- (2S)-1-(4-Iodo-2,5-dimethoxyphenyl)propan-2-amine
-
- Inchi： 1S/C11H16INO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m0/s1
- InChI Key： BGMZUEKZENQUJY-ZETCQYMHSA-N
- SMILES： IC1=CC(=C(C=C1OC)C[C@H](C)N)OC
Computed Properties
- Exact Mass: 321.023
- Monoisotopic Mass: 321.023
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 191
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 44.5
Experimental Properties
- Melting Point: 201 °C
(2S)-1-(4-Iodo-2,5-dimethoxyphenyl)propan-2-amine Related Literature
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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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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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