Procinolol

CAT: 0926-CBA32536-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-CBA32536-05Size:25 mg

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CAS Number

27325-36-6

Smiles

CC (C) NCC (COC1=CC=CC=C1C2CC2) O

Molecular Formula

C15H23NO2

Molecular Weight

249.35 g/mol

Controlled

Chemical Information

Procinolol

RN given refers to parent cpd & from CAS Registry Handbook, Numbers Section, 1965-1971; structure

CAS Number	27325-36-6
PubChem CID	71707
IUPAC Name	1-(2-cyclopropylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular Formula	C15H23NO2
Molecular Weight	249.35
XLogP	3.1
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	18
Formal Charge	0
Complexity	241

SMILES

CC(C)NCC(COC1=CC=CC=C1C2CC2)O

InChI

InChI=1S/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-12/h3-6,11-13,16-17H,7-10H2,1-2H3

InChIKey

RTAGQMIEWAAKMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27325-36-6

CID: 71707

Formula: C15H23NO2

MW: 249.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.35
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	249.172878976
Monoisotopic Mass	249.172878976
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	241
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