Lercanidipine Impurity 31

CAT: 1299-RM-L050331-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L050331-01Size:10 mg

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CAS Number

2250242-51-2

Synonyms

4- ((3,3-diphenylpropyl) (methyl) amino) butan-1-ol

Molecular Formula

C20H27NO

Molecular Weight

297.44

Target Alternative Name

Lercanidipine

Product Name Synonym

4- ((3,3-diphenylpropyl) (methyl) amino) butan-1-ol

Chemical Information

Lercanidipine-D impurity 1

CAS Number	2250242-51-2
PubChem CID	138110356
IUPAC Name	4-[3,3-diphenylpropyl(methyl)amino]butan-1-ol
Molecular Formula	C20H27NO
Molecular Weight	297.4
XLogP	4.1
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	22
Formal Charge	0
Complexity	251

SMILES

CN(CCCCO)CCC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H27NO/c1-21(15-8-9-17-22)16-14-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,20,22H,8-9,14-17H2,1H3

InChIKey

CRUQHNGMWBODGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2250242-51-2

CID: 138110356

Formula: C20H27NO

MW: 297.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.4
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	297.209264485
Monoisotopic Mass	297.209264485
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	251
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