AG001WHZ

166104-20-7 | 1H-Indole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester

AG001WHZ

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CAS Number	166104-20-7
Catalog Number	AG001WHZ(AGN-PC-00CA4G)
Chemical Name	1H-Indole-1-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 5-aminoindole-1-carboxylate
InChI	InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-7-6-9-8-10(14)4-5-11(9)15/h4-8H,14H2,1-3H3
InChI Key	KYCVRKPFNLCHLL-UHFFFAOYSA-N
MDL Number	MFCD04114746
Molecular Formula	C13H16N2O2
Molecular Weight	232.2783
SMILES	C(=O)(OC(C)(C)C)[N]2C1=CC=C(C=C1C=C2)N
Synonyms	1-Boc-5-Aminoindole, 166104-20-7, TERT-BUTYL 5-AMINO-1H-INDOLE-1-CARBOXYLATE, Tert-butyl 5-aminoindole-1-carboxylate, 5-Amino-indole-1-carboxylic acid tert-butyl ester, 5-AMINOINDOLE, N1-BOC PROTECTED, AK-23552, 1H-INDOLE-1-CARBOXYLIC ACID, 5-AMINO-, 1,1-DIMETHYLETHYL ESTER, zlchem 676, PubChem15862, 1-Boc- 5-aminoindole, 5-Amino-1-Boc-indole, SCHEMBL312329, 1-boc-5-aminoindole, 98+%, Jsp003340, DTXSID00469138, ZLD0128, KYCVRKPFNLCHLL-UHFFFAOYSA-N, tert-butyl 5-aminoindolecarboxylate, ACT05900, BCP28305, EBD20759, KS-00000GX6, ZINC2527001, ZX-AT021723, AC-133, ANW-52177, CB-879, MFCD04114746, OR2566, SBB070608, 5-AMINO-1-BOC-BENZOIMIDAZOLE, AKOS015854633, AB18898, CS-W018798, FCH1623602, VI30119, tert-butyl 5-azanylindole-1-carboxylate, AJ-37780, AN-16131, AS-14902, BC220666, BR-23552, CC-04128, CJ-08933, N061, SC-12300, SY039928, AB0015528, AX8014793, DB-005689, TR-007162, 4CH-007629, FT-0643593, ST24027037, MFCD04114746 (95%), A57689, S-4052, 5-amino-1-indolecarboxylic acid tert-butyl ester, 104B207, A810695, C-13585, J-010258, S10-0007, C13H16N2O2, 5-AMINO-1-BOC-BENZIMIDAZOLE, CID11593831, 5-AMINO-BENZOIMIDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.121g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.283g/mol
Monoisotopic Mass	232.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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