AG003B23

32231-06-4 | 1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazine

AG003B23

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CAS Number	32231-06-4
Catalog Number	AG003B23(AGN-PC-0JM0OE)
Chemical Name	1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazine
EC Number	250-968-5
IUPAC Name	1-(1,3-benzodioxol-5-ylmethyl)piperazine
InChI	InChI=1S/C12H16N2O2/c1-2-11-12(16-9-15-11)7-10(1)8-14-5-3-13-4-6-14/h1-2,7,13H,3-6,8-9H2
InChI Key	NBOOZXVYXHATOW-UHFFFAOYSA-N
MDL Number	MFCD00005834
Molecular Formula	C12H16N2O2
Molecular Weight	220.2676
SMILES	c1cc2c(cc1CN3CCNCC3)OCO2
UNII	512G6R381X
Synonyms	1-piperonylpiperazine, 1-piperonylpiperazine dihydrochloride, 1-Piperonylpiperazine, 32231-06-4, 1-(3,4-Methylenedioxybenzyl)piperazine, 1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazine, 1-(1,3-Benzodioxol-5-ylmethyl)piperazine, 1-(1,3-Benzodioxol-5-yl-methyl)piperazine, BRN 0885038, UNII-512G6R381X, 1-Benzo[1,3]dioxol-5-ylmethyl-piperazine, Piperazine, 1-(1,3-benzodioxol-5-ylmethyl)-, EINECS 250-968-5, MFCD00005834, 1-(3,4-Methylendioxybenzyl)piperazine, Piperazine, 1-(3,4-methylenedioxybenzyl)-, NBOOZXVYXHATOW-UHFFFAOYSA-N, 512G6R381X, 5-(piperazinylmethyl)-2H-benzo[d]1,3-dioxolene, Piperonyl piperazine, ACMC-1CMGH, AC1Q28YH, 1-Piperonylpiperazine, 97%, 5-23-02-00526 (Beilstein Handbook Reference), MLS001194789, SCHEMBL592970, AC1L3S70, CHEMBL1344680, CTK3J7903, DTXSID70185994, HMS1671A08, HMS2871J22, BB_SC-04649, ANW-27310, BBL019138, SBB018161, STK803594, ZINC19230135, 1-(Benzodioxol-5-ylmethyl)piperazine, 4-(3,4-methyenedioxybenzyl)piperazine, AKOS000119434, CCG-104810, CHM0018403, MCULE-6549866280, RTR-056740, TRA0038659, 4-(3,4-methylenedioxybenzyl)piperazine, ACM32231064, KS-0000104X, 1-(3,4-methylenedioxybenzyl)-piperazine, NCGC00245839-01, AJ-72637, AK115028, AS-44241, BAS 00531883, CC-01697, SC-57897, SMR000554828, 1-[(3,4-methylenedioxy)benzyl]-piperazine, AB0010252, AX8014127, BC4134499, DB-048184, LS-112853, TL8002450, TR-056740, BB 0249428, FT-0608275, P1041, ST24026943, ST45255395, T7693, 1-(1,3-Benzodioxol-5-ylmethyl)piperazine #, 1-[(1,3-Benzodioxol-5-yl)methyl]piperazine, 1-(2H-1,3-benzodioxol-5-ylmethyl)piperazine, A821205, C-12185, I01-0157, J-018683, F2190-0512, 4-[(1-Piperazinyl)methyl]-1,2-benzenediol; Methylene ether, C12H16N2O2, CID94426, 1-Piperonylpiperazine dihydrochloride, C12-H16-N2-O2, 1-Piperonylpiperazine, 98% - 25G 25g, C078092,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.272g/mol
Monoisotopic Mass	220.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H314-H318
Packing Group
Precautionary statements	P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number