AG00HAYA

107245-26-1 | 3-Heptanone, 1-(dimethylamino)-6-methyl-

AG00HAYA

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CAS Number	107245-26-1
Catalog Number	AG00HAYA(AGN-PC-00NXO6)
Chemical Name	3-Heptanone, 1-(dimethylamino)-6-methyl-
IUPAC Name	1-(dimethylamino)-6-methylheptan-3-one
InChI	InChI=1S/C10H21NO/c1-9(2)5-6-10(12)7-8-11(3)4/h9H,5-8H2,1-4H3
InChI Key	PZBJXYOGYUXIQV-UHFFFAOYSA-N
MDL Number	MFCD22683883
Molecular Formula	C10H21NO
Molecular Weight	171.2798
SMILES	CC(C)CCC(CCN(C)C)=O
Synonyms	1-(Dimethylamino)-6-methylheptan-3-one, 107245-26-1, DTXSID40549044, MFCD22683883, ZINC95496255, AKOS022173162, DS-7164, 1-(Dimethylamino)-6-methyl-3-heptanone, AK140839, 3-Heptanone, 1-(dimethylamino)-6-methyl-, AJ-132724, AX8281054, Z2219, C10H21NO,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.162g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.284g/mol
Monoisotopic Mass	171.162g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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