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EMD 386088 Hydrochloride

CAT: 0572-TRC-E521033-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E521033-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1171123-46-8
Synonyms
5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole Hydrochloride;
Hazard Statement
No Data Available
Smiles
CC(N1)=C(C2=CCNCC2)C3=C1C=CC(Cl)=C3.Cl
Molecular Formula
C14H15ClN2 • (HCl)
Molecular Weight
283.2
InChI
InChI=1S/C14H15ClN2.ClH/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9;/h2-4,8,16-17H,5-7H2,1H3;1H
Additionnal Information
IUPAC name: 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

1H-Indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride (1:1)
CAS Number1171123-46-8
PubChem CID56972198
IUPAC Name5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride
Molecular FormulaC14H16Cl2N2
Molecular Weight283.2
Topological Polar Surface Area27.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity315
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3.Cl
InChI
InChI=1S/C14H15ClN2.ClH/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9;/h2-4,8,16-17H,5-7H2,1H3;1H
InChIKey
WWSNDUWIZDYGIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Indole, 5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-, hydrochloride (1:1)
CAS: 1171123-46-8
CID: 56972198
Formula: C14H16Cl2N2
MW: 283.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass282.0690539
Monoisotopic Mass282.0690539
Topological Polar Surface Area27.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity315
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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