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N-[2-(1H-Imidazol-5-yl)ethyl]-9H-purin-6-amine

N-[2-(1H-Imidazol-5-yl)ethyl]-9H-purin-6-amine structure

CAS No:
1669-86-9
Formula:
C10H11N7
Chemical Name:
N-[2-(1H-Imidazol-5-yl)ethyl]-9H-purin-6-amine
Synonyms:
9H-Purin-6-amine,N-[2-(1H-imidazol-5-yl)ethyl]-;Adenine,N-(2-imidazol-4-ylethyl)-;1H-Purin-6-amine,N-[2-(1H-imidazol-4-yl)ethyl]-;Adenine,N-[2-imidazol-4(or 5)-ylethyl]-;Adenine,N6-[2-(imidazol-4(or 5)-yl)ethyl]-;N-[2-(1H-Imidazol-5-yl)ethyl]-9H-purin-6-amine;Purinyl-6-histamine;6-Histaminopurine;NSC 113989;15402-59-2

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N-[2-(1H-Imidazol-5-yl)ethyl]-9H-purin-6-amine Basic Attributes

Molecular Weight：

229.24100

Exact Mass：

229.24

EC Number：

216-794-9

NSC Number：

113989

DSSTox ID：

DTXSID30168203

HScode：

2933990090

Characteristics

PSA：

95.17000

XLogP3：

0.80360

Density：

1.53g/cm3

Melting Point：

256-257 °C @ Solvent: Water

Boiling Point：

752.3ºC

Flash Point：

408.8ºC

Refractive Index：

1.837

Vapor Pressure：

9.75E-11mmHg at 25°C

Drug Information

MeSH Entry Terms：

purinyl-6-histamine

Computed Properties

Molecular Weight:229.24
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:229.10759338
Monoisotopic Mass:229.10759338
Topological Polar Surface Area:95.2
Heavy Atom Count:17
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[2-(1H-Imidazol-5-yl)ethyl]-9H-purin-6-amine

Basic Attributes
Characteristics
Drug Information
Computed Properties

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