Cas no 81038-30-4 (Methyl 4-amino-1H-indole-1-carboxylate)
81038-30-4 structure
Product Name:Methyl 4-amino-1H-indole-1-carboxylate
CAS No:81038-30-4
MF:C10H10N2O2
MW:190.198602199554
CID:986297
PubChem ID:605362
Update Time:2025-04-20
Methyl 4-amino-1H-indole-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-1-carboxylicacid,4-amino-,methylester(9CI)
- Indole-1-carboxylic acid, 4-amino-, methyl ester
- Methyl 4-amino-1H-indole-1-carboxylate
- 81038-30-4
- SCHEMBL11216414
- RUGAULALUBLSEG-UHFFFAOYSA-N
- Methyl 4-amino-1H-indole-1-carboxylate #
- Methyl4-amino-1H-indole-1-carboxylate
-
- Inchi： 1S/C10H10N2O2/c1-14-10(13)12-6-5-7-8(11)3-2-4-9(7)12/h2-6H,11H2,1H3
- InChI Key： RUGAULALUBLSEG-UHFFFAOYSA-N
- SMILES： O(C)C(N1C=CC2C(=CC=CC1=2)N)=O
Computed Properties
- Exact Mass: 190.074227566g/mol
- Monoisotopic Mass: 190.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 57.2?2
Methyl 4-amino-1H-indole-1-carboxylate Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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
81038-30-4 (Methyl 4-amino-1H-indole-1-carboxylate) Related Products
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