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Structure

2-Amino-7-(2-chloroethyl)-3H-purin-6-one

CAS
22247-87-6
Catalog Number
ACM22247876
Category
Other Products
Molecular Weight
213.624 g/mol
Molecular Formula
C7H8ClN5O

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Specification

Synonyms
Chloroethylguanine;
IUPAC Name
2-amino-7-(2-chloroethyl)-3H-purin-6-one
Canonical SMILES
C1=NC2=C(N1CCCl)C(=O)N=C(N2)N
InChI Key
SULBUWBTSDCEDY-UHFFFAOYSA-N
Boiling Point
527.8ºC at 760 mmHg
Flash Point
273ºC
Density
1.83g/cm³
Exact Mass
213.04200
H-Bond Acceptor
4
H-Bond Donor
2
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