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Ethyl 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]benzoate

Ethyl 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]benzoate structure

CAS No:
2227-23-8
Formula:
C13H15N7O2
Chemical Name:
Ethyl 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]benzoate
Synonyms:
Benzoic acid,4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]-,ethyl ester;Benzoic acid,p-[(2,4,6-triamino-5-pyrimidinyl)azo]-,ethyl ester;Benzoic acid,4-[(2,4,6-triamino-5-pyrimidinyl)azo]-,ethyl ester;Ethyl 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]benzoate;Ethyl p-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoate;NSC 125241

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Ethyl 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]benzoate Basic Attributes

Molecular Weight：

301.30400

Exact Mass：

301.30

NSC Number：

125241

DSSTox ID：

DTXSID90298671

HScode：

2933599090

Characteristics

PSA：

154.86000

XLogP3：

3.55890

Density：

1.52g/cm3

Boiling Point：

644.3ºC

Flash Point：

343.5ºC

Refractive Index：

1.714

Vapor Pressure：

1.71E-16mmHg at 25°C

Computed Properties

Molecular Weight:301.30
XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:301.12872275
Monoisotopic Mass:301.12872275
Topological Polar Surface Area:155
Heavy Atom Count:22
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-[2-(2,4,6-triamino-5-pyrimidinyl)diazenyl]benzoate

Basic Attributes
Characteristics
Computed Properties
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