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Bipenamol Hydrochloride

CAT: 0572-TRC-B397805-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B397805-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62220-58-0
Synonyms
Bipenamol Hydrochloride
Hazard Statement
No Data Available
Smiles
Cl.NCc1ccccc1Sc2ccccc2CO
Molecular Formula
C14 H15 N O S . Cl H
Molecular Weight
281.801
InChI
InChI=1S/C14H15NOS.ClH/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16;/h1-8,16H,9-10,15H2;1H
Additionnal Information
IUPAC name: [2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Bipenamol Hydrochloride
CAS Number62220-58-0
PubChem CID11954308
IUPAC Name[2-[2-(aminomethyl)phenyl]sulfanylphenyl]methanol;hydrochloride
Molecular FormulaC14H16ClNOS
Molecular Weight281.8
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity224
SMILES
C1=CC=C(C(=C1)CN)SC2=CC=CC=C2CO.Cl
InChI
InChI=1S/C14H15NOS.ClH/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16;/h1-8,16H,9-10,15H2;1H
InChIKey
ZJODQRQMMAIPJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bipenamol Hydrochloride
CAS: 62220-58-0
CID: 11954308
Formula: C14H16ClNOS
MW: 281.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass281.0641130
Monoisotopic Mass281.0641130
Topological Polar Surface Area71.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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