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4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile

4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile structure

CAS No:
115204-61-0
Formula:
C15H13ClN6
Chemical Name:
4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile

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4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile Basic Attributes

Molecular Weight：

312.75700

Exact Mass：

312.0890221

DSSTox ID：

DTXSID20150995

Characteristics

PSA：

70.63000

XLogP3：

2.46568

Density：

1.36g/cm3

Boiling Point：

517.3ºC at 760mmHg

Flash Point：

266.7ºC

Refractive Index：

1.688

Vapor Pressure：

8.31E-11mmHg at 25°C

Computed Properties

Molecular Weight:312.76
XLogP3:2.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:312.0890221
Monoisotopic Mass:312.0890221
Topological Polar Surface Area:70.6
Heavy Atom Count:22
Complexity:427
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[2-chloro-6-(dimethylamino)purin-9-yl]methyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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