AG007FGG

1057682-05-9 | (R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile

AG007FGG

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CAS Number	1057682-05-9
Catalog Number	AG007FGG(AGN-PC-0WAGTO)
Chemical Name	(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile
IUPAC Name	6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
InChI	InChI=1S/C11H14N4/c1-9-8-15(5-4-13-9)11-3-2-10(6-12)7-14-11/h2-3,7,9,13H,4-5,8H2,1H3/t9-/m1/s1
InChI Key	USAKGOYBWIQOPV-SECBINFHSA-N
MDL Number	MFCD17488802
Molecular Formula	C11H14N4
Molecular Weight	202.2557
SMILES	N#CC1=CN=C(N2C[C@@H](C)NCC2)C=C1
Synonyms	(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile, 1057682-05-9, SCHEMBL3608512, CTK8C1875, DTXSID70657808, USAKGOYBWIQOPV-SECBINFHSA-N, 1298AA, ANW-67406, MFCD17488802, ZINC52783321, AKOS016006602, DS-18449, AJ-112107, TC-156151, FT-0700984, FT-0700985, 6-((R)-3-Methyl-piperazin-1-yl)-nicotinonitrile, 6-[(3R)-3-Methylpiperazin-1-yl]pyridine-3-carbonitrile, C11H14N4, (S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile, 1057682-03-7,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	202.122g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.261g/mol
Monoisotopic Mass	202.122g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number