AG00FA4A

73978-41-3 | (2,4-Diaminopteridin-6-yl)methanol hydrochloride hydrate

AG00FA4A

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CAS Number	73978-41-3
Catalog Number	AG00FA4A(AGN-PC-0U48QC)
Chemical Name	(2,4-Diaminopteridin-6-yl)methanol hydrochloride hydrate
IUPAC Name	(2,4-diaminopteridin-6-yl)methanol;hydrochloride
InChI	InChI=1S/C7H8N6O.ClH/c8-5-4-6(13-7(9)12-5)10-1-3(2-14)11-4;/h1,14H,2H2,(H4,8,9,10,12,13);1H
InChI Key	XZHMPUJCSYVIQL-UHFFFAOYSA-N
MDL Number	MFCD00191246
Molecular Formula	C7H9ClN6O
Molecular Weight	228.6390
SMILES	OCc1cnc2c(n1)c(N)nc(n2)N.Cl
Synonyms	73978-41-3, (2,4-diaminopteridin-6-yl)methanol Hydrochloride, 2,4-Diamino-6-(hydroxymethyl)pteridine hydrochloride, 2,4-diamino-6-(hydroxymethyl)-pteridine hydrochloride, AK-88354, (2,4-DIAMINOPTERIDIN-6-YL)METHANOL HCL, 6-Pteridinemethanol, 2,4-diamino-, hydrochloride, 2,4-diamino-6-hydroxymethylpteridine hydrochloride, W-200498, 6-Pteridinemethanol, 2,4-diamino-, monohydrochloride, 100462-86-0, (2,4-diaminopteridin-6-yl)methan-1-ol, chloride, AC1MBG2I, 2,4-Diamino-6-(hydroxymethyl)pteridinehydrochloride, ACMC-20a189, SCHEMBL3101407, CTK0G8850, KS-00000PQU, XZHMPUJCSYVIQL-UHFFFAOYSA-N, BCP09302, EBD37541, ZX-AT004318, ANW-52519, MFCD00191246, OR8715, SBB003294, AKOS005254571, CS-W008143, PS-7744, TRA0008603, BC682499, SC-06585, SY063959, AB0077912, AX8226321, TC-141264, FT-0609967, ST50405175, MFCD00191246 (95%), (2,4-Diamino-6-pteridinyl)methanol hydrochloride, (2,4-diaminopteridin-6-yl)methanol;hydrochloride, 2,4-diamino-6-hydroxymethylpteridin hydrochloride, 2,4-diamino-6-(hydroxymethyl)-pteridine hydrochlor, 2,4-Diaminopyrimido[4,5-b]pyrazine-6-methanol monohydrochloride, GEO-00919, CID2725059, EC 700-274-8, (2,4-Diaminopteridin-6-yl)methanolhydrochloride, (2,4-Diaminopteridin-6-yl)methanol monohydrochloride, (2,4-diaminopteridin-6-yl)methanol hydrochloride hydrate, 101066-87-9,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	228.64g/mol
Monoisotopic Mass	228.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	124A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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