2,6-DIAMINO-8-PURINOL HEMISULFATE MONOHYDRATE

CAS No.
698998-94-6 ;123333-49-3
CCD No.
CCD00074374
Formula
2 C5 H6 N6 O . H2 O . H2 O4 S
MolWeight
448.379

Basic Information

Product Name: 2,6-DIAMINO-8-PURINOL HEMISULFATE MONOHYDRATE
CAS: 698998-94-6 ;123333-49-3
English Synonyms: 2,6-DIAMINO-8-PURINOL HEMISULFATE SALT HYDRATE ; 2,6-DIAMINO-8-PURINOL HEMISULFATE MONOHYDRATE
MDL Number.: MFCD00150148
H bond acceptor: 7
H bond donor: 4
Smile: c12c(nc(nc1nc([nH]2)O)N)N.c12c(nc(nc1nc([nH]2)O)N)N.O.OS(=O)(=O)O
InChi: InChI=1S/2C5H6N6O.H2O4S.H2O/c2*6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4;/h2*(H6,6,7,8,9,10,11,12);(H2,1,2,3,4);1H2
InChiKey: InChIKey=RYLHSHJARAETPO-UHFFFAOYSA-N

Property

Melting Point: 324-329 DEG C(LIT)
Comments: UNSPSC: 12352100
WGK: 3

Safety information

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