AG003D4S

1520-44-1 | 1,1-(1-methyl-1,3-propanediyl)bis-benzene

AG003D4S

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CAS Number	1520-44-1
Catalog Number	AG003D4S(AGN-PC-0JKC5I)
Chemical Name	1,1-(1-methyl-1,3-propanediyl)bis-benzene
EC Number	216-186-3
IUPAC Name	4-phenylbutan-2-ylbenzene
InChI	InChI=1S/C16H18/c1-14(16-10-6-3-7-11-16)12-13-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3
InChI Key	PDINXYLAVFUHSA-UHFFFAOYSA-N
MDL Number	MFCD00506195
Molecular Formula	C16H18
Molecular Weight	210.3141
SMILES	CC(C1=CC=CC=C1)CCC2=CC=CC=C2
Synonyms	1,3-diphenylbutane, 1520-44-1, 1,3-DIPHENYLBUTANE, butane-1,3-diyldibenzene, Benzene, 1,1'-(1-methyl-1,3-propanediyl)bis-, (1-Methylpropane-1,3-diyl)dibenzene, Butane, 1,3-diphenyl-, (+), Butane, 1,3-diphenyl-, (-), 1,1-(1-methyl-1,3-propanediyl)bis-benzene, Butane, 1,3-diphenyl-, 17293-53-7, 17293-55-9, EINECS 216-186-3, 4-phenylbutan-2-ylbenzene, (3-Phenylbutyl)benzene #, AC1L25DT, PDINXYLAVFUHSA-UHFFFAOYSA-N, MFCD00506195, AKOS027470102, CS-W004341, KS-0000018A, AK545141, DS-19370, Benzene, 1,1'-(1-methyl-1,3-propanediyl)bis-, (R)-, Ethanesulfonamide, (3-Phenylbutyl)benzene, 1,3-Diphenylbutan - 1G 1g, CID15203, C16H18, C16-H18, 1,1'-(1-methyl-1,3-propanediyl)bis-benzene, Benzene,1,1'-(1-methyl-1,3-propanediyl)bis-,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.141g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.32g/mol
Monoisotopic Mass	210.141g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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