AG001PIW

1575591-71-7 | 1-Piperazineacetaldehyde, α,α-dimethyl-4-(3-oxetanyl)-

AG001PIW

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CAS Number	1575591-71-7
Catalog Number	AG001PIW(AGN-PC-0WBSNY)
Chemical Name	1-Piperazineacetaldehyde, α,α-dimethyl-4-(3-oxetanyl)-
IUPAC Name	2-methyl-2-[4-(oxetan-3-yl)piperazin-1-yl]propanal
InChI	InChI=1S/C11H20N2O2/c1-11(2,9-14)13-5-3-12(4-6-13)10-7-15-8-10/h9-10H,3-8H2,1-2H3
InChI Key	YLAVBAIYUSJUSH-UHFFFAOYSA-N
MDL Number	MFCD28502667
Molecular Formula	C11H20N2O2
Molecular Weight	212.2887
SMILES	CC(N1CCN(C2COC2)CC1)(C)C=O
Synonyms	1575591-71-7, 2-methyl-2-(4-oxetan-3-yl-piperazin-1-yl)-propionaldehyde, 2-Methyl-2-(4-(oxetan-3-yl)piperazin-1-yl)propanal, 2-Methyl-2-[4-(oxetan-3-yl)piperazin-1-yl]propanal, AK171833, SCHEMBL15515934, YLAVBAIYUSJUSH-UHFFFAOYSA-N, MFCD28502667, AKOS025289933, ZINC169804443, KS-0000084R, AS-52560, 1-Piperazineacetaldehyde, alpha,alpha-dimethyl-4-(3-oxetanyl)-,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.152g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.293g/mol
Monoisotopic Mass	212.152g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	32.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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