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1171456-52-2 | 1H-Indole-1,5-dicarboxylic acid, 3-(2-aminoethyl)-, 1-(1,1-dimethylethyl) 5-methyl ester, hydrochloride (1:1)
CAS No: 1171456-52-2 Catalog No: AG000DSD MDL No:MFCD07698598
Product Description
Catalog Number:
AG000DSD
Chemical Name:
1H-Indole-1,5-dicarboxylic acid, 3-(2-aminoethyl)-, 1-(1,1-dimethylethyl) 5-methyl ester, hydrochloride (1:1)
CAS Number:
1171456-52-2
Molecular Formula:
C17H23ClN2O4
Molecular Weight:
354.8285
MDL Number:
MFCD07698598
IUPAC Name:
1-O-tert-butyl 5-O-methyl 3-(2-aminoethyl)indole-1,5-dicarboxylate;hydrochloride
InChI:
InChI=1S/C17H22N2O4.ClH/c1-17(2,3)23-16(21)19-10-12(7-8-18)13-9-11(15(20)22-4)5-6-14(13)19;/h5-6,9-10H,7-8,18H2,1-4H3;1H
InChI Key:
UMYIIMXQISWTEK-UHFFFAOYSA-N
SMILES:
NCCc1cn(c2c1cc(cc2)C(=O)OC)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
354.831g/mol
Monoisotopic Mass:
354.135g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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