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Home > Indoles and Oxindole > 144035-34-7
144035-34-7 | Carbamic acid, [2-(5-cyano-1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS No: 144035-34-7 Catalog No: AG001ITI MDL No:
Product Description
Catalog Number:
AG001ITI
Chemical Name:
Carbamic acid, [2-(5-cyano-1H-indol-3-yl)ethyl]-, 1,1-dimethylethyl ester (9CI)
CAS Number:
144035-34-7
Molecular Formula:
C16H19N3O2
Molecular Weight:
285.3410
IUPAC Name:
tert-butyl N-[2-(5-cyano-1H-indol-3-yl)ethyl]carbamate
InChI:
InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)18-7-6-12-10-19-14-5-4-11(9-17)8-13(12)14/h4-5,8,10,19H,6-7H2,1-3H3,(H,18,20)
InChI Key:
ZQPAILDMANGQJU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(CCNC(=O)OC(C)(C)C)c[nH]2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.347g/mol
Monoisotopic Mass:
285.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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