Cas no 53079-45-1 (Aspartic acid, N-(phenylmethyl)-3-[(phenylmethyl)amino]-)
![Aspartic acid, N-(phenylmethyl)-3-[(phenylmethyl)amino]- structure](https://ossimg.kuujia.com/scimg/53500/53079-45-1x500.png)
53079-45-1 structure
Product Name:Aspartic acid, N-(phenylmethyl)-3-[(phenylmethyl)amino]-
CAS No:53079-45-1
MF:C18H20N2O4
MW:328.362404823303
CID:1584777
PubChem ID:108349
Update Time:2025-04-21
Aspartic acid, N-(phenylmethyl)-3-[(phenylmethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Aspartic acid, N-(phenylmethyl)-3-[(phenylmethyl)amino]-
- (2S)-2,3-bis(benzylamino)butanedioic acid
- meso-2,3-Bis(benzylamino)succinic acid
- NCI60_028484
- 2,3-Bis(benzylamino)succinic acid
- SCHEMBL5085491
- CHEMBL1999612
- 55645-40-4
- DTXSID10610876
- 2,3-bis(benzylamino)butanedioic acid
- NSC-679576
- (3S)-rel-N-Benzyl-3-benzylamino-D-aspartic acid
- NSC679576
- NS00055783
- D-Aspartic acid, N-(phenylmethyl)-3-((phenylmethyl)amino)-, (3S)-rel-
- 53079-45-1
- erythro-N-Benzyl-3-(benzylamino)aspartic acid
- N-Benzyl-3-(benzylamino)-L-aspartic acid
- EINECS 259-736-8
-
- Inchi： 1S/C18H20N2O4/c21-17(22)15(19-11-13-7-3-1-4-8-13)16(18(23)24)20-12-14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,21,22)(H,23,24)
- InChI Key： FZEXWQSUEVTZEC-UHFFFAOYSA-N
- SMILES： OC(C(C(C(=O)O)NCC1C=CC=CC=1)NCC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 328.1424
- Monoisotopic Mass: 328.14230712g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 366
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.9
- Topological Polar Surface Area: 98.7?2
Experimental Properties
- PSA: 98.66
Aspartic acid, N-(phenylmethyl)-3-[(phenylmethyl)amino]- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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