Cas no 177785-42-1 (L-Alanine, N-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester)
![L-Alanine, N-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester structure](https://ossimg.kuujia.com/scimg/178000/177785-42-1x500.png)
177785-42-1 structure
Product Name:L-Alanine, N-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester
CAS No:177785-42-1
MF:C13H20N2O4S
MW:300.373902320862
CID:1371294
PubChem ID:165352421
Update Time:2025-04-20
L-Alanine, N-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- L-Alanine, N-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester
- DTXSID601181162
- 177785-42-1
- N-[(4-Aminophenyl)sulfonyl]-L-alanine 1,1-dimethylethyl ester
-
- Inchi： 1S/C13H20N2O4S/c1-9(12(16)19-13(2,3)4)15-20(17,18)11-7-5-10(14)6-8-11/h5-9,15H,14H2,1-4H3/t9-/m0/s1
- InChI Key： SKKCEJNQQVUQGF-VIFPVBQESA-N
- SMILES： S(C1C=CC(=CC=1)N)(N[C@@H](C)C(=O)OC(C)(C)C)(=O)=O
Computed Properties
- Exact Mass: 300.11437830g/mol
- Monoisotopic Mass: 300.11437830g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 428
- 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: 1.5
- Topological Polar Surface Area: 107?2
L-Alanine, N-[(4-aminophenyl)sulfonyl]-, 1,1-dimethylethyl ester Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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