AG00F1XD

58895-88-8 | 2-Piperazinecarboxylicacid,1,4-dimethyl-(9CI)

AG00F1XD

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CAS Number	58895-88-8
Catalog Number	AG00F1XD(AGN-PC-0SQVD8)
Chemical Name	2-Piperazinecarboxylicacid,1,4-dimethyl-(9CI)
IUPAC Name	1,4-dimethylpiperazine-2-carboxylic acid
InChI	InChI=1S/C7H14N2O2/c1-8-3-4-9(2)6(5-8)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChI Key	LPYACEXPSBVYAC-UHFFFAOYSA-N
MDL Number	MFCD14583022
Molecular Formula	C7H14N2O2
Molecular Weight	158.1983
SMILES	O=C(C1N(C)CCN(C)C1)O
Synonyms	1,4-DIMETHYLPIPERAZINE-2-CARBOXYLIC ACID, 58895-88-8, (S)-1,4-Dimethylpiperazine-2-carboxylic acid, 2-Piperazinecarboxylicacid,1,4-dimethyl-(9CI), SCHEMBL799809, CTK5A9062, DTXSID50595577, LPYACEXPSBVYAC-UHFFFAOYSA-N, MFCD14583022, AS-44946, 1,4-Dimethylpiperazin-2-yl carboxylic acid, 2-Piperazinecarboxylicacid,1,4-dimethyl-, 2-Piperazinecarboxylic acid, 1,4-dimethyl- (9CI), N/A,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.106g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.201g/mol
Monoisotopic Mass	158.106g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	43.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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