AC1LDCGP structure

AC1LDCGP

7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione

Also Known As: BAS 06502903|7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione|7-(3-Chlorobut-2-en-1-yl)-3-methyl-8-(pyrrolidin-1-yl)-1H-purine-2,6(3H,7H)-dione|7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-8-(pyrrolidin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione

CAS: 478252-99-2
Molecular Formula C14H18ClN5O2
Molecular Weight 323.1149 g/mol
LogP 1.7
Topological Polar Surface Area 70.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 323.1149
Monoisotopic Mass 323.1149
Heavy Atoms 22
Complexity 505.0

Chemical Identifiers

CAS Number 478252-99-2
SMILES CC(=CCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)Cl
InChIKey ZBLVRYCQBKPLSS-UHFFFAOYSA-N

Product Overview

AC1LDCGP (CAS 478252-99-2), with molecular formula C14H18ClN5O2 and molecular weight 323.1149 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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