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3-(butylaminomethyl)benzonitrile

3-(butylaminomethyl)benzonitrile structure

CAS No:
90390-00-4
Formula:
C12H16N2
Chemical Name:
3-(butylaminomethyl)benzonitrile
Synonyms:
3-(butylaminomethyl)benzonitrile;90390-00-4;Benzonitrile, 3-((butylamino)methyl)-;Benzonitrile, 3-[(butylamino)methyl]-;SCHEMBL3266433;CHEMBL1182986;DTXSID00238129;ZINC5973582;AKOS000234873;3-[(BUTYLAMINO)METHYL]BENZONITRILE;90389-66-5

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3-(butylaminomethyl)benzonitrile Basic Attributes

Molecular Weight：

188.27 g/mol

Exact Mass：

188.131348519 g/mol

DSSTox ID：

DTXSID00238129

Characteristics

PSA：

35.8 Å²

Computed Properties

Molecular Weight:188.27
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:188.131348519
Monoisotopic Mass:188.131348519
Topological Polar Surface Area:35.8
Heavy Atom Count:14
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(butylaminomethyl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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