AG006UPC

51047-52-0 | 4-(Piperazin-1-yl)pyrimidine

AG006UPC

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CAS Number	51047-52-0
Catalog Number	AG006UPC(AGN-PC-01UB3E)
Chemical Name	4-(Piperazin-1-yl)pyrimidine
IUPAC Name	4-piperazin-1-ylpyrimidine
InChI	InChI=1S/C8H12N4/c1-2-10-7-11-8(1)12-5-3-9-4-6-12/h1-2,7,9H,3-6H2
InChI Key	CBQYFXRCWSZCQW-UHFFFAOYSA-N
MDL Number	MFCD10697319
Molecular Formula	C8H12N4
Molecular Weight	164.2077
SMILES	c1(ccncn1)N1CCNCC1
Synonyms	4-(Piperazin-1-yl)pyrimidine, 51047-52-0, 4-(1-PIPERAZINYL)PYRIMIDINE, 1-(4-pyrimidinyl)piperazine, 4-(4-pyrimidinyl)piperazine, SCHEMBL194151, CTK8B5504, KS-00000OSO, DTXSID20592770, CBQYFXRCWSZCQW-UHFFFAOYSA-N, BCP08077, ANW-48966, MFCD10697319, ZINC40862581, AKOS010502633, AB59360, CS-W006092, PYRIMIDINE, 4-(1-PIPERAZINYL)-, AK-64564, BR-64564, DS-15592, SC-48056, AB0025198, AJ-103814, TC-137711, FT-0704142, ST24023233, W6615, S-6594, C8H12N4,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.106g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	164.212g/mol
Monoisotopic Mass	164.106g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3259

Certificate of Analysis

Lot Number