AG00715N

214907-09-2 | 5-Iodopyrimidine-4,6-diamine

AG00715N

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CAS Number	214907-09-2
Catalog Number	AG00715N(AGN-PC-006J4F)
Chemical Name	5-Iodopyrimidine-4,6-diamine
IUPAC Name	5-iodopyrimidine-4,6-diamine
InChI	InChI=1S/C4H5IN4/c5-2-3(6)8-1-9-4(2)7/h1H,(H4,6,7,8,9)
InChI Key	DGHLQCSKEMTMIS-UHFFFAOYSA-N
MDL Number	MFCD20040099
Molecular Formula	C4H5IN4
Molecular Weight	236.0138
SMILES	NC1=C(I)C(N)=NC=N1
Synonyms	5-iodopyrimidine-4,6-diamine, 214907-09-2, 4,6-Pyrimidinediamine, 5-iodo-, 4,6-Diamino-5-iodopyrimidine, 5-iododiaminopyrimidine, C4H5IN4, 5-Iodo-4,6-pyrimidinediamine, SCHEMBL3583458, 4,6-diamino-5-iodo-pyrimidine, CTK0J7445, DTXSID20461977, DGHLQCSKEMTMIS-UHFFFAOYSA-N, MFCD20040099, ZINC87493250, AKOS022173544, AM62627, FCH1362801, AK141879, AS-18929, SC-90888, 5-Iodopyrimidine-4,6-diamine, AldrichCPR, AJ-128038, AX8282011, X3282, J3.568.216C, CID11310900,

Complexity	88.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.956g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.016g/mol
Monoisotopic Mass	235.956g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319-H335-H317-H315-H302
Packing Group
Precautionary statements	P261-P280-P305+P351+P338-P333+P313-P337+P313-P301+P312+P330
UN Code

Certificate of Analysis

Lot Number