Cas no 63547-62-6 (Dimethyl (e)-3-aminopent-2-enedioate)
63547-62-6 structure
Product Name:Dimethyl (e)-3-aminopent-2-enedioate
CAS No:63547-62-6
MF:C7H11NO4
MW:173.166542291641
CID:1653347
PubChem ID:253819
Update Time:2025-04-21
Dimethyl (e)-3-aminopent-2-enedioate Chemical and Physical Properties
Names and Identifiers
-
- Dimethyl (e)-3-aminopent-2-enedioate
- AC1Q43ZW
- NSC76075
- CTK5E4246
- AR-1I5529
- AC1Q5ZSK
- 3-amino-pentanedioic acid dimethyl ester
- dimethyl-3-aminoglutarate
- 3-aminopentanedioic acid dimethyl ester
- dimethyl 3-aminopent-2-enedioate
- dimethyl 3-aminoglutaconate
- dimethyl 3-aminoglutarate
- dimethyl-3-enamino-glutarate
- AC1L5NUR
- 3-aminoglutaric acid dimethyl ester
- AG-H-09189
- AC1Q43ZW; NSC76075; CTK5E4246; AR-1I5529; AC1Q5ZSK; 3-amino-pentanedioic acid dimethyl ester; dimethyl-3-aminoglutarate; 3-aminopentanedioic acid dimethyl ester; dimethyl 3-aminopent-2-enedioate; dimethyl 3-aminoglutaconate; dimethyl 3-aminoglutarate; dimethyl-3-enamino-glutarate; AC1L5NUR; 3-aminoglutaric acid dimethyl ester; AG-H-09189;
- Dimethyl-3-aminoglutaconate
- dimethyl 3-amino-2-pentenedioate
- CIDSYVVJNVVERM-UHFFFAOYSA-N
- 2-Pentenedioic acid, 3-amino-, dimethyl ester
- dimethyl 2-amino-1-propene-1,3-dicarboxylate
- AKOS024332757
- DS-007497
- SCHEMBL3809128
- 63547-62-6
-
- Inchi： 1S/C7H11NO4/c1-11-6(9)3-5(8)4-7(10)12-2/h3H,4,8H2,1-2H3
- InChI Key： CIDSYVVJNVVERM-UHFFFAOYSA-N
- SMILES： O(C)C(CC(=CC(=O)OC)N)=O
Computed Properties
- Exact Mass: 173.06883
- Monoisotopic Mass: 173.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0
- Topological Polar Surface Area: 78.6?2
Experimental Properties
- PSA: 78.62
- LogP: 0.26540
Dimethyl (e)-3-aminopent-2-enedioate Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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