Harmol HCl

CAT: 1596-AR-H07797-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-H07797-04Size:100 Units

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CAS Number

40580-83-4

Synonyms

1-Methyl-9H-pyrido[3,4-b]indol-7-ol, hydrochloride (1:1)

Molecular Formula

C12H10N2O; HCl

Molecular Weight

198.23; 36.46

API Name

Harmane

Chemical Information

1-Methyl-2,9-dihydro-7H-pyrido(3,4-b)indol-7-one--hydrogen chloride (1/1)

See also: Harmol (annotation moved to) ... View More ...

CAS Number	40580-83-4
PubChem CID	94507
IUPAC Name	1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one;hydrochloride
Molecular Formula	C12H11ClN2O
Molecular Weight	234.68
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	16
Formal Charge	0
Complexity	516

SMILES

CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl

InChI

InChI=1S/C12H10N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-6,13-14H,1H3;1H

InChIKey

RBOUBJPHXSVUTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40580-83-4

CID: 94507

Formula: C12H11ClN2O

MW: 234.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.68
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	234.0559907
Monoisotopic Mass	234.0559907
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	516
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-H07297-01	Harmol
AR-D01745-01	Dicycloverine HCl (Dicyclomine HCl)
AR-B01295-01	Benzhexol HCl (Trihexyphenidyl HCl)
AR-P31720-01	Pipazetate HCl (Pipazethate HCl)
AR-E01979-01	Etafedrine HCl (Ethylephedrine HCl)
AR-P02815-01	Prilocaine HCl (Propitocaine HCl)
AR-P02020-01	Pipazetate HCl (Pipazethate HCl)
AR-E10490-01	Etafedrine HCl (Ethylephedrine HCl)
AR-H01077-01	Dimethylheptene Methylamine HCl (Isometheptene HCl)
AR-C01519-01	Carteolol HCl Impurity H HCl

Catalog	Name
BA8506-50	Harmol
TRC-H105263-2.5G	Harmol Hydrochloride
HY-107811A	Harmol (hydrochloride)
HY-107811R-01	Harmol (Standard)
H-1313-01	Harmol hydrochloride dihydrate
H-1312-01	Harmol hydrochloride monohydrate