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2-Ethynylpyrimidine

2-Ethynylpyrimidine structure

CAS No:
37972-24-0
Formula:
C6H4N2
Chemical Name:
2-Ethynylpyrimidine
Synonyms:
Pyrimidine,2-ethynyl-;2-Ethynylpyrimidine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-Ethynylpyrimidine Basic Attributes

Molecular Weight：

104.11

Exact Mass：

104.11

DSSTox ID：

DTXSID50498377

Characteristics

Density：

1.11±0.1 g/cm3

Melting Point：

95-96 °C

Boiling Point：

228.2±23.0 °C(Predicted)

PKA：

-0.58±0.13

Safety Information

hazard class code：

safety instructions：

Marks：

Computed Properties

Molecular Weight:104.11
XLogP3:-0.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:104.037448136
Monoisotopic Mass:104.037448136
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 37972-24-0

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