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1159823-50-3 | 1H-Indole-1-carboxylic acid, 5-(2-aminoethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1159823-50-3 Catalog No: AG000HAV MDL No:
Product Description
Catalog Number:
AG000HAV
Chemical Name:
1H-Indole-1-carboxylic acid, 5-(2-aminoethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1159823-50-3
Molecular Formula:
C15H21ClN2O2
Molecular Weight:
296.7924
IUPAC Name:
tert-butyl 5-(2-aminoethyl)indole-1-carboxylate;hydrochloride
InChI:
InChI=1S/C15H20N2O2.ClH/c1-15(2,3)19-14(18)17-9-7-12-10-11(6-8-16)4-5-13(12)17;/h4-5,7,9-10H,6,8,16H2,1-3H3;1H
InChI Key:
MYUXVSOQEVWKDE-UHFFFAOYSA-N
SMILES:
NCCc1ccc2c(c1)ccn2C(=O)OC(C)(C)C.Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.795g/mol
Monoisotopic Mass:
296.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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