Benidipine Impurity F

CAT: 1299-RM-B140406-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B140406-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

14813-01-5

Synonyms

1-benzylpiperidin-3-ol

Molecular Formula

C12H17NO

Molecular Weight

191.27

Target Alternative Name

Benidipine

Product Name Synonym

1-benzylpiperidin-3-ol

Chemical Information

1-Benzylpiperidin-3-ol

CAS Number	14813-01-5
PubChem CID	85773
IUPAC Name	1-benzylpiperidin-3-ol
Molecular Formula	C12H17NO
Molecular Weight	191.27
XLogP	1.6
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	166

SMILES

C1CC(CN(C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C12H17NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2

InChIKey

UTTCOAGPVHRUFO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14813-01-5

CID: 85773

Formula: C12H17NO

MW: 191.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.27
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	191.131014166
Monoisotopic Mass	191.131014166
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	166
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