Propoxate

CAT: 0926-HAA03658-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-HAA03658-05Size:100 mg

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CAS Number

7036-58-0

MDL Number

MFCD00864447

Smiles

CCCOC (=O) C1=CN=CN1C (C) C2=CC=CC=C2

Molecular Formula

C15H18N2O2

Molecular Weight

258.32 g/mol

Controlled

Yes

Chemical Information

Propyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

RN given refers to (+-)-isomer; RN for cpd without isomeric designation not avail 3/90

CAS Number	7036-58-0
PubChem CID	65591
IUPAC Name	propyl 3-(1-phenylethyl)imidazole-4-carboxylate
Molecular Formula	C15H18N2O2
Molecular Weight	258.32
XLogP	3.6
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	290

SMILES

CCCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2/c1-3-9-19-15(18)14-10-16-11-17(14)12(2)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3

InChIKey

LKGPZAQFNYKISK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7036-58-0

CID: 65591

Formula: C15H18N2O2

MW: 258.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.32
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	258.136827821
Monoisotopic Mass	258.136827821
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	290
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
GTR19252923-01	(+) -Propoxate
T34154-01	Propoxate