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Chemical substance record

Harman

486-84-0C12H10N2182.226 g/mol

An indole alkaloid fundamental parent with a structure of 9H-β-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number486-84-0ChEBI ↗
Molecular formulaC12H10N2ChEBI ↗
Molar mass182.226 g/molChEBI ↗
Monoisotopic mass182.0844 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:5623ChEBI ↗

Cross-source molecular data

PubChem
Molar mass182.22 g/molPubChem ↗
Exact mass182.084398327 DaPubChem ↗
Computed XLogP3.6PubChem ↗
Topological polar surface area (Ų)28.7PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds0PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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harman
1-methyl-9H-pyrido[3,4-b]indole
PSFDQSOCUJVVGF-UHFFFAOYSA-N
Cc1nccc2c1nc1ccccc12
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3

Names & synonyms

1-methyl-9H-pyrido[3,4-b]indole

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

EC 1.4.3.4 (monoamine oxidase) inhibitoranti-HIV agentplant metabolite

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00548769 mol

Uses 182.226 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 12 atoms
79.10%
N
Nitrogen · 2 atoms
15.37%
H
Hydrogen · 10 atoms
5.53%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:5623

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 5281404 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.