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188988-46-7 | 1H-Indole-1-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS No: 188988-46-7 Catalog No: AG002HNT MDL No:MFCD06738803
Product Description
Catalog Number:
AG002HNT
Chemical Name:
1H-Indole-1-carboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
188988-46-7
Molecular Formula:
C14H18N2O2
Molecular Weight:
246.3049
MDL Number:
MFCD06738803
IUPAC Name:
tert-butyl 3-(aminomethyl)indole-1-carboxylate
InChI:
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10(8-15)11-6-4-5-7-12(11)16/h4-7,9H,8,15H2,1-3H3
InChI Key:
DLCWCVSPHUGAPJ-UHFFFAOYSA-N
SMILES:
NCc1cn(c2c1cccc2)C(=O)OC(C)(C)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.137g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.31g/mol
Monoisotopic Mass:
246.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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