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Harmol Hydrochloride Dihydrate

CAT: 0572-TRC-H105260-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H105260-100MGSize:100 mg
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CAS Number
149022-16-2
Synonyms
1-Methyl-9H-pyrido(3,4-b)indol-7-ol monohydrochloride dihydrate
Hazard Statement
Causes skin irritation
Smiles
O.O.Cl.Cc1nccc2c3ccc(O)cc3[nH]c12
Molecular Formula
C12 H10 N2 O . H Cl . 2 H2 O
Molecular Weight
270.71
InChI
InChI=1S/C12H10N2O.ClH.2H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-6,14-15H,1H3;1H;2*1H2
Additionnal Information
IUPAC name: 1-methyl-9H-pyrido[3,4-b]indol-7-ol;dihydrate;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Methyl-9H-pyrido[3,4-b]indol-7-ol hydrochloride dihydrate
CAS Number149022-16-2
PubChem CID2723830
IUPAC Name1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;dihydrate;hydrochloride
Molecular FormulaC12H15ClN2O3
Molecular Weight270.71
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity516
SMILES
CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.O.O.Cl
InChI
InChI=1S/C12H10N2O.ClH.2H2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;;;/h2-6,13-14H,1H3;1H;2*1H2
InChIKey
OITPZRQHDRVLMO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-9H-pyrido[3,4-b]indol-7-ol hydrochloride dihydrate
CAS: 149022-16-2
CID: 2723830
Formula: C12H15ClN2O3
MW: 270.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.71
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass270.0771200
Monoisotopic Mass270.0771200
Topological Polar Surface Area43.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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