AG003I50

55480-45-0 | 3-(4-methylpiperazin-1-yl)propanoic acid

AG003I50

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CAS Number	55480-45-0
Catalog Number	AG003I50(AGN-PC-0K4O27)
Chemical Name	3-(4-methylpiperazin-1-yl)propanoic acid
IUPAC Name	3-(4-methylpiperazin-1-yl)propanoic acid
InChI	InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
InChI Key	JSHLMMUXJIDENZ-UHFFFAOYSA-N
MDL Number	MFCD00513444
Molecular Formula	C8H16N2O2
Molecular Weight	172.2248
SMILES	C(CC(=O)O)N1CCN(CC1)C
Synonyms	55480-45-0, 3-(4-methylpiperazin-1-yl)propanoic acid, 3-(4-methyl-1-piperazinyl)propanoic acid, 3-(4-Methylpiperazin-1-yl)propionic acid, 3-(4-Methyl-piperazin-1-yl)-propionic acid, 4-methyl-1-piperazinepropanoic acid, JSHLMMUXJIDENZ-UHFFFAOYSA-N, 1-Piperazinepropanoicacid, 4-methyl-, 1-Piperazinepropanoic acid, 4-methyl-, 3-(4-methylpiperazinyl)propanoic acid, AC1LRFZK, BAS 03840591, Oprea1_767673, SCHEMBL954925, CTK1G9220, DTXSID50362761, ALBB-011996, KS-00000AL1, BBL005504, MFCD00513444, SBB010546, STK392446, ZINC19362216, 3-(4-methylpiperazino)propanoic acid, AKOS000271435, BS-3939, MCULE-1064558305, TRA0059233, VZ26033, 3-(4-Methyl-1-piperazinyl)propanoicAcid, AJ-72894, SC-65785, SY022672, 3-(4-methyl-1-piperazinyl)propionic acid, 3-(4-methyl-1-piperazinyl)-propanoic acid, AB0057785, DB-021672, ST4140011, TR-037074, BB 0219039, FT-0618992, 1-Pyrazinepropanoic acid, hexahydro-4-methyl-, 3-(4-Methyl-1-piperazin-1-yl)propionic acid, W-7240, MFCD00513444 (97+%), A830665, I04-4947, 1-piperazinepropanoic acid, 4-methyl-, dihydrochloride, 3-(4-Methylpiperazin-1-yl)propanoic acid, AldrichCPR, Z53116013, 3-(N-Methylpiperazine)-propan-1-oic acid hydrochloride salt, 2-(4-methylpiperazin-1-yl)aceticacid, CID1395380, 2-(4-Methylpiperazin-1-yl)acetic acid, A7942, 1-Piperazinepropanoic acid, 4-methyl- (9CI), (4-METHOXYBENZYL)(PYRIDIN-2-YLMETHYL)AMINE, 3-(4-Methyl-piperazin-1-yl)-propionic acid, 98% - 1G 1g, 54699-92-2,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.121g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	172.228g/mol
Monoisotopic Mass	172.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number