Padimate O

CAT: 1596-AR-P30126-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P30126-04Size:100 Units

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CAS Number

21245-02-3

Synonyms

2-ethylhexyl 4- (dimethylamino) benzoate

Molecular Formula

C17H27NO2

Molecular Weight

277.41

API Name

Padimate o

Chemical Information

Padimate-O

Padimate O is a benzoate ester.

CAS Number	21245-02-3
PubChem CID	30541
IUPAC Name	2-ethylhexyl 4-(dimethylamino)benzoate
Molecular Formula	C17H27NO2
Molecular Weight	277.4
XLogP	5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	20
Formal Charge	0
Complexity	270

SMILES

CCCCC(CC)COC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3

InChIKey

WYWZRNAHINYAEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21245-02-3

CID: 30541

Formula: C17H27NO2

MW: 277.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	277.4
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	277.204179104
Monoisotopic Mass	277.204179104
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	270
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P31412-01	O, O-Diethyl O-methyl Phosphorothioate
AR-P31413-01	O-Ethyl O, O-dimethyl Phosphorothioate
AR-C02533-01	O, O-diethyl O-hydrogen phosphorothioate
AR-C02534-01	O, O-diethyl O-hydrogen phosphorothioate-D10
AR-P31486-01	O, O-Dimethyl Dithiophosphate
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AR-P30275-01	O-Desmethyl Pantoprazole O-Sulfate
AR-B06146-01	O-Dealkylated Belumosudil O-Sulfate
AR-A05845-01	O-Desmethyl-O-ethyl Albendazole
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Catalog	Name
T33863-01	Padimate A
T20599-01	Padimate O
RM-P486001-01	N-Nitroso-Desmethyl-Padimate O