Mephetyl tetrazole

CAT: 0024-sc-255261Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-255261Size:5 mg

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CAS Number

916923-10-9

Chemical Information

Mephetyl tetrazole

CAS Number	916923-10-9
PubChem CID	16721111
IUPAC Name	1-[2-(4-methoxyphenyl)ethyl]-5-[1-(4-methylphenyl)cyclopropyl]tetrazole
Molecular Formula	C20H22N4O
Molecular Weight	334.4
XLogP	4
Topological Polar Surface Area	52.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	425

SMILES

CC1=CC=C(C=C1)C2(CC2)C3=NN=NN3CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H22N4O/c1-15-3-7-17(8-4-15)20(12-13-20)19-21-22-23-24(19)14-11-16-5-9-18(25-2)10-6-16/h3-10H,11-14H2,1-2H3

InChIKey

VREPWWBWXVLSEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 916923-10-9

CID: 16721111

Formula: C20H22N4O

MW: 334.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	334.4
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	334.17936134
Monoisotopic Mass	334.17936134
Topological Polar Surface Area	52.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-255654	Tetrazole solution
sc-331915	Tetrazole-1,5-diamine
sc-278069A	5-Benzyl-1H-tetrazole
sc-278069	5-Benzyl-1H-tetrazole
sc-233402	5-Methyl-1H-tetrazole
sc-227007B	5-Phenyl-1H-tetrazole
sc-227007	5-Phenyl-1H-tetrazole
sc-357355	Ethyl tetrazole-5-carboxylate
sc-290881	5-cyclopropyl-2H-tetrazole
sc-233189	5- (Methylthio) -1H-tetrazole