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2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile

2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile structure

CAS No:
38555-07-6
Formula:
C13H18N2O2
Chemical Name:
2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile
Synonyms:
Ko 1313;Ko 1313, monohydrochloride;Ko 1313, monohydrochloride, (+-)-isomer;Ko-1313;Koe 1313;Koe-1313;2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile;38555-07-6;o-(2-Hydroxy-3-(isopropylamino)propoxy)benzonitrile;CHEMBL1159888;Ko 1313;KO-1313;BRN 2733067;2-Nitrilo-N-isopropyl phenoxypropanolamine;SCHEMBL11200218;DTXSID10959419;BENZONITRILE, o-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)-;BDBM50421730;o-[2-hydroxy-3-(isopropylamino)-propoxy]-benzonitril;2-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}benzonitrile

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2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile Basic Attributes

Molecular Weight：

234.29 g/mol

Exact Mass：

234.136827821 g/mol

Characteristics

PSA：

65.3 Å²

Drug Information

MeSH Entry Terms：

Ko 1313

Computed Properties

Molecular Weight:234.29
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:234.136827821
Monoisotopic Mass:234.136827821
Topological Polar Surface Area:65.3
Heavy Atom Count:17
Complexity:259
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzonitrile

Basic Attributes
Characteristics
Drug Information
Computed Properties

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