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2,4-Diaminopyrimidine-5-carbonitrile

2,4-Diaminopyrimidine-5-carbonitrile structure

CAS No:
16462-27-4
Formula:
C5H5N5
Chemical Name:
2,4-Diaminopyrimidine-5-carbonitrile
Synonyms:
5-Pyrimidinecarbonitrile,2,4-diamino-;2,4-Diamino-5-pyrimidinecarbonitrile;2,4-Diamino-5-cyanopyrimidine;NSC 135235;2,4-Diaminopyrimidine-5-carbonitrile
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Yellow Solid

2,4-Diaminopyrimidine-5-carbonitrile Basic Attributes

Molecular Weight：

135.13

Exact Mass：

135.13

NSC Number：

135235

DSSTox ID：

DTXSID60300179

HScode：

29335990

Characteristics

PSA：

102

XLogP3：

-0.2

Density：

1.45±0.1 g/cm3(Predicted)

Melting Point：

318 °C (decomp)

Boiling Point：

498.2±55.0 °C(Predicted)

Flash Point：

255.1ºC

Refractive Index：

1.658

Storage Conditions：

Refrigerator

Safety Information

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2,4-Diaminopyrimidine-5-carbonitrile Use and Manufacturing

Intermediate for the preparation of medicines and agrochemicals.

Computed Properties

Molecular Weight:135.13
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Exact Mass:135.05449518
Monoisotopic Mass:135.05449518
Topological Polar Surface Area:102
Heavy Atom Count:10
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4-Diaminopyrimidine-5-carbonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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2,4-Diaminopyrimidine-5-carbonitrile

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