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6-Hydroxy-N-demethyldimethindene (~90%)

CAT: 0572-TRC-H934110-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H934110-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
173070-32-1
Synonyms
2-[2-(Methylamino)ethyl]-3-[1-(2-pyridinyl)ethyl]-1H-inden-6-ol; 2-(2-(Methylamino)ethyl)-3-(1-(pyridin-2-yl)ethyl)-1H-inden-6-ol
Hazard Statement
No Data Available
Smiles
OC1=CC=C(C(C(C)C2=NC=CC=C2)=C(CCNC)C3)C3=C1
Molecular Formula
C19H22N2O
Molecular Weight
294.39
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

6-Hydroxy-N-demethyldimethidene
CAS Number173070-32-1
PubChem CID86185940
IUPAC Name2-[2-(methylamino)ethyl]-1-(1-pyridin-2-ylethyl)-3H-inden-5-ol
Molecular FormulaC19H22N2O
Molecular Weight294.4
XLogP1.9
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity406
SMILES
CC(C1=CC=CC=N1)C2=C(CC3=C2C=CC(=C3)O)CCNC
InChI
InChI=1S/C19H22N2O/c1-13(18-5-3-4-9-21-18)19-14(8-10-20-2)11-15-12-16(22)6-7-17(15)19/h3-7,9,12-13,20,22H,8,10-11H2,1-2H3
InChIKey
YVDTYSPSLJWXOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy-N-demethyldimethidene
CAS: 173070-32-1
CID: 86185940
Formula: C19H22N2O
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass294.173213330
Monoisotopic Mass294.173213330
Topological Polar Surface Area45.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes