Cas no 100483-42-9 (L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride)
100483-42-9 structure
Product Name:L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride
CAS No:100483-42-9
MF:C12H16ClNO4
MW:273.712742805481
CID:1126875
PubChem ID:57357241
Update Time:2025-04-20
L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride
- SCHEMBL7351021
- 100483-42-9
- (S)-1-Benzyl 4-methyl 2-aminosuccinate hydrochloride
- L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride (1:1)
-
- Inchi： 1S/C12H15NO4.ClH/c1-16-11(14)7-10(13)12(15)17-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3;1H/t10-;/m0./s1
- InChI Key： GFMMKCKPULMBOT-PPHPATTJSA-N
- SMILES： Cl.O(CC1C=CC=CC=1)C([C@H](CC(=O)OC)N)=O
Computed Properties
- Exact Mass: 273.07688
- Monoisotopic Mass: 273.0767857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 261
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride Related Literature
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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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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
100483-42-9 (L-Aspartic acid, 4-methyl 1-(phenylmethyl) ester, hydrochloride) Related Products
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