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4,5-Diaminopyrimidine

4,5-Diaminopyrimidine structure

CAS No:
13754-19-3
Formula:
C4H6N4
Chemical Name:
4,5-Diaminopyrimidine
Synonyms:
4,5-Pyrimidinediamine;Pyrimidine,4,5-diamino-;4,5-Diaminopyrimidine;5,6-Diaminopyrimidine;NSC 14348;42910-93-0
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Brown crystals

4,5-Diaminopyrimidine Basic Attributes

Molecular Weight：

110.12

Exact Mass：

110.12

EC Number：

237-339-0

UNII：

IL00Z9WFM8

NSC Number：

14348

DSSTox ID：

DTXSID40160233

HScode：

29335995

Characteristics

PSA：

77.8

XLogP3：

-0.8

Appearance：

Clear colorless Liquid

Density：

1.2105 (rough estimate)

Melting Point：

205-206 °C @ Solvent: Ethyl acetate

Boiling Point：

229 °C32 mm Hg(lit.)

Flash Point：

175.8±9.5 °C

Refractive Index：

1.7380 (estimate)

Storage Conditions：

-20°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 64 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:110.12
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:110.059246208
Monoisotopic Mass:110.059246208
Topological Polar Surface Area:77.8
Heavy Atom Count:8
Complexity:74.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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