Propranolol Impurity 37

CAT: 1299-RM-P181537-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P181537-02Size:25 mg

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CAS Number

76275-54-2

Synonyms

1- (2-hydroxy-3- (isopropylamino) propoxy) naphthalen-2-ol

Molecular Formula

C16H21NO3

Molecular Weight

275.35

Target Alternative Name

Propranolol

Product Name Synonym

1- (2-hydroxy-3- (isopropylamino) propoxy) naphthalen-2-ol

Chemical Information

1-[2-Hydroxy-3-(isopropylamino)propoxy]naphthalene-2-ol

CAS Number	76275-54-2
PubChem CID	12672898
IUPAC Name	1-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-2-ol
Molecular Formula	C16H21NO3
Molecular Weight	275.34
XLogP	2.6
Topological Polar Surface Area	61.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	285

SMILES

CC(C)NCC(COC1=C(C=CC2=CC=CC=C21)O)O

InChI

InChI=1S/C16H21NO3/c1-11(2)17-9-13(18)10-20-16-14-6-4-3-5-12(14)7-8-15(16)19/h3-8,11,13,17-19H,9-10H2,1-2H3

InChIKey

HPONWSWGUSLIJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 76275-54-2

CID: 12672898

Formula: C16H21NO3

MW: 275.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.34
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	275.15214353
Monoisotopic Mass	275.15214353
Topological Polar Surface Area	61.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	285
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