AG0007OY

1025423-95-3 | 1,2-Benzenediol, 4-[(methylamino)methyl]-, hydrobromide (1:1)

AG0007OY

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CAS Number	1025423-95-3
Catalog Number	AG0007OY(AGN-PC-0WA9TV)
Chemical Name	1,2-Benzenediol, 4-[(methylamino)methyl]-, hydrobromide (1:1)
IUPAC Name	4-(methylaminomethyl)benzene-1,2-diol;hydrobromide
InChI	InChI=1S/C8H11NO2.BrH/c1-9-5-6-2-3-7(10)8(11)4-6;/h2-4,9-11H,5H2,1H3;1H
InChI Key	PRTZQGUEQQHXPC-UHFFFAOYSA-N
MDL Number	MFCD26045226
Molecular Formula	C8H12BrNO2
Molecular Weight	234.0904
SMILES	OC1=CC=C(CNC)C=C1O.[H]Br
Synonyms	1025423-95-3, 4-[(Methylamino)methyl]pyrocatechol Hydrobromide, 4-[(METHYLAMINO)METHYL]PYROCATECHOL HBR, C8H11NO2.HBr, SCHEMBL15398307, PRTZQGUEQQHXPC-UHFFFAOYSA-N, KS-000009CF, 6058AJ, MFCD26045226, AKOS024438314, TRA0080502, CS-11556, SY024820, CS-0059168, 3,4-dihydroxy-N-methylbenzylamine hydrobromide, 4-[(Methylamino)methyl]pyrocatecholHydrobromide, Z-3546, 4-[(Methylamino)methyl]pyrocatechol hydrobromate, MFCD26045226 (95+%), 4-(methylaminomethyl)benzene-1,2-diol;hydrobromide, 4-((Methylamino)methyl)benzene-1,2-diol hydrobromide, 1,2-Benzenediol, 4-[(methylamino)methyl]-, hydrobromide (1:1), ACN-037096, 5628-56-8,

Complexity	119
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.005g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	234.093g/mol
Monoisotopic Mass	233.005g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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