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Rac-Lanicemine DiHCl

CAT: 1596-AR-L06500-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L06500-01Size:10 Units
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CAS Number
153200-70-5
Molecular Formula
C13H14N2. 2HCl
Molecular Weight
198.27 2*36.46
API Name
Lanicemine

Chemical Information

1-Phenyl-2-(pyridin-2-yl)ethan-1-amine dihydrochloride
CAS Number153200-70-5
PubChem CID18405797
IUPAC Name1-phenyl-2-pyridin-2-ylethanamine;dihydrochloride
Molecular FormulaC13H16Cl2N2
Molecular Weight271.18
Topological Polar Surface Area38.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity175
SMILES
C1=CC=C(C=C1)C(CC2=CC=CC=N2)N.Cl.Cl
InChI
InChI=1S/C13H14N2.2ClH/c14-13(11-6-2-1-3-7-11)10-12-8-4-5-9-15-12;;/h1-9,13H,10,14H2;2*1H
InChIKey
KHJHFYAGQZYCLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Phenyl-2-(pyridin-2-yl)ethan-1-amine dihydrochloride
CAS: 153200-70-5
CID: 18405797
Formula: C13H16Cl2N2
MW: 271.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight271.18
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass270.0690539
Monoisotopic Mass270.0690539
Topological Polar Surface Area38.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes