2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
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2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
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CAS No:
113772-12-6
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Formula:
C17H19N3O
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Chemical Name:
2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
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Synonyms:
2-amino-1-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile;2-amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole-3-carbonitrile;1H-Indole-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-1-[(4-methoxyphenyl)methyl]-;2-Amino-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile;ZINC00169549;ACMC-1BST9;Oprea1_077482;SCHEMBL2800358;CTK4A8431;KS-00001XXE
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CAS No:
2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE Basic Attributes
281.35
281.15300
DTXSID80377282
2933990090
Characteristics
64
3.45888
1.21±0.1 g/cm3(Predicted)
130-132°C
516.8±50.0 °C(Predicted)
266.4ºC
1.631
8.69E-11mmHg at 25°C
Computed Properties
Molecular Weight:281.35
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:281.152812238
Monoisotopic Mass:281.152812238
Topological Polar Surface Area:64
Heavy Atom Count:21
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-AMINO-1-(4-METHOXYBENZYL)-4,5,6,7-TETRAHYDRO-1H-INDOLE-3-CARBONITRILE
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