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1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE

1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE structure

CAS No:
86236-77-3
Formula:
C19H21N3
Chemical Name:
1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE
Synonyms:
1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE;1,3-dibenzylhexahydropyrimidine-5-carbonitrile;SBB058033;1,3-dibenzyl-1,3-diazinane-5-carbonitrile;1,3-bisbenzyl-1,3-diazaperhydroine-5-carbonitrile;Maybridge1_003279;MLS000851354;CHEMBL1566693;CTK5F6386;HMS550N01

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1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE Basic Attributes

Molecular Weight：

291.39

Exact Mass：

291.17400

BRN：

5572924

DSSTox ID：

DTXSID40384472

HScode：

2933599090

Characteristics

PSA：

30.27000

XLogP3：

2.97748

Density：

1.15g/cm3

Melting Point：

82-84°C

Boiling Point：

435.5ºC at 760 mmHg

Flash Point：

184.9ºC

Refractive Index：

1.624

Water Solubility：

32.9 [ug/mL]

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

hazard class code：

safety instructions：

22-36/37

Computed Properties

Molecular Weight:291.4
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:291.173547683
Monoisotopic Mass:291.173547683
Topological Polar Surface Area:30.3
Heavy Atom Count:22
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1,3-DIBENZYL-5-CYANOHEXAHYDROPYRIMIDINE

SDS

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