AG00EBAD

56323-03-6 | 1-(4-Hydroxybutyl)-4-methylpiperazine

AG00EBAD

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CAS Number	56323-03-6
Catalog Number	AG00EBAD(AGN-PC-0KKN4N)
Chemical Name	1-(4-Hydroxybutyl)-4-methylpiperazine
IUPAC Name	4-(4-methylpiperazin-1-yl)butan-1-ol
InChI	InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
InChI Key	GSFOUKVQYFLTRA-UHFFFAOYSA-N
MDL Number	MFCD04117824
Molecular Formula	C9H20N2O
Molecular Weight	172.2679
SMILES	OCCCCN1CCN(C)CC1
Synonyms	56323-03-6, 4-(4-methylpiperazin-1-yl)butan-1-ol, 1-(4-Hydroxybutyl)-4-methylpiperazine, 4-(4-methyl-1-piperazinyl)-1-butanol, 1-(4-Hydroxybutyl)-4-methyl-piperazine, 1-Piperazinebutanol, 4-methyl-, AC1MC03V, SCHEMBL9368, 1-Piperazinebutanol,4-methyl-, ARONIS006264, CTK5A4977, DTXSID60374734, 4-(4-methylpiperazinyl)butan-1-ol, KS-000010QS, KS-00003YM0, MFCD04117824, ZINC19691574, AKOS000495915, FS-6057, MCULE-7028652014, VP70158, AJ-74254, SC-54303, DB-018594, FT-0640373, ST24042967, ST45043033, Y-1233, A831000, 4-(4-Methylpiperazin-1-yl)butan-1-ol, AldrichCPR, CID2759304, 1-Piperazinebutanol, 4-methyl- (6CI,9CI), 1-(4-Hydroxybutyl)-4-methyl-piperazine, 98% - 10G 10g,

Complexity	111
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.158g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.272g/mol
Monoisotopic Mass	172.158g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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