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113772-12-6 | 1H-Indole-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-1-[(4-methoxyphenyl)methyl]-
CAS No: 113772-12-6 Catalog No: AG0009MH MDL No:MFCD03425783
Product Description
Catalog Number:
AG0009MH
Chemical Name:
1H-Indole-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-1-[(4-methoxyphenyl)methyl]-
CAS Number:
113772-12-6
Molecular Formula:
C17H19N3O
Molecular Weight:
281.3523
MDL Number:
MFCD03425783
IUPAC Name:
2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile
InChI:
InChI=1S/C17H19N3O/c1-21-13-8-6-12(7-9-13)11-20-16-5-3-2-4-14(16)15(10-18)17(20)19/h6-9H,2-5,11,19H2,1H3
InChI Key:
HMITZZIOYJRWFM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c2CCCCc2c(c1N)C#N
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.153g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.359g/mol
Monoisotopic Mass:
281.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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