2,6-DIHYDROXY-7-METHYLPURINE-2,4,5,6-13C4, 1,3-15N2

CAS No.
552-62-5
CCD No.
CCD01268429
Formula
C6 H6 N4 O2
MolWeight
173.074

Basic Information

Product Name: 2,6-DIHYDROXY-7-METHYLPURINE-2,4,5,6-13C4, 1,3-15N2
CAS: 552-62-5
English Synonyms: 7-METHYLXANTHINE-2,4,5,6-13C4, 1,3,9-15N3 ; 7-METHYLXANTHINE-[13C4,15N3] ; 7-METHYLXANTHINE-2,4,5,6-13C4, 1,3-15N2 ; 2,6-DIHYDROXY-7-METHYLPURINE-2,4,5,6-13C4, 1,3-15N2
MDL Number.: MFCD11656102
H bond acceptor: 6
H bond donor: 2
Smile: Cn1c[15n][13c]2[13c]1[13c](=O)[15nH][13c](=O)[15nH]2
InChi: InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)/i3+1,4+1,5+1,6+1,7+1,8+1,9+1
InChiKey: InChIKey=PFWLFWPASULGAN-JVYICBGUSA-N

Property

Melting Point: =>300 DEG C
Comments: ASSAY METHOD: CP
MASS SHIFT: M+7
STORAGE TEMPERATURE: -20 DEG C
WGK: 2
Information: ISOTOPIC PURITY: 98 ATOM% 15N (BASED ON 15N2)
ISOTOPIC PURITY: 99 ATOM% 13C
MW: 172.02 BY ATOM% CALCULATION
PARTIAL 15N LABELING AT N9

Safety information

WGK Germany: 2

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