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Structure

1,3,7-trimethyl-8-(methylamino)purine-2,6-dione

CAS
5422-30-0
Catalog Number
ACM5422300
Category
Other Products
Molecular Weight
223.232 g/mol
Molecular Formula
C9H13N5O2

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Specification

Synonyms
8-Methylaminocaffeine, 5422-30-0, AG-F-87532, 1,3,7-TRIMETHYL-8-METHYLAMINO-PURINE-2,6-DIONE, NSC8810, SureCN6892164, AC1L20H9, UNII-8980LXK786, CTK5A0056, NSC 8810, NSC-8810, 1,3,7-trimethyl-8-(methylamino)purine-2,6-dione, 1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-, 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-, 1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-8-(methylamino)-
IUPAC Name
1,3,7-trimethyl-8-(methylamino)purine-2,6-dione
Canonical SMILES
CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
InChI Key
FCCZIRITMFVXOZ-UHFFFAOYSA-N
Boiling Point
414.2ºC at 760mmHg
Flash Point
204.3ºC
Density
1.45g/cm³
Exact Mass
223.10700
H-Bond Acceptor
4
H-Bond Donor
1
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