Completing data — usually done within a minute
Basic information
- CAS
40580-83-4- Standard SMILES
Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12- InChIKey
LBBJNGFCXDOYMQ-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.225 g/mol
- Monoisotopic mass
- 198.07931294
Names & identifiers
- Preferred name
- 1-Methyl-2,9-dihydro-7H-pyrido[3,4-b]indol-7-one
- IUPAC
- 1-Methyl-2,9-dihydro-7H-pyrido[3,4-b]indol-7-one
- English name
- HARMOL
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
1-METHYL-9H-PYRIDO[3,4-B]INDOL-7-OLHARMOLHarmol>Harmol HarmolMETHYLPYRIDOINDOLOLTIMTEC-BB SBB005349Harmol, 10 mM in DMSO1-Methyl-β-carboline-7-ol1-Methyl-9H-beta-carbolin-7-olbeta-Carboline, 7-hydroxy-1-methyl-
Database identifiers
- CAS
40580-83-4、487-03-6- PubChem CID
- 68094
- DTXSID
DTXSID10960989- ChEMBL
CHEMBL14285- ChEBI
CHEBI:192558- UNII
- 7PQ075MCA6
- Nikkaji
- J102.018H
Properties
Physicochemical properties
- Melting point
- 231 °C · 231°C
- Boiling point
- 460.4 · 460.4±40.0 °C(Predicted)
- Density
- 1.377 · 1.377±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly)
- pka
- 7.9 · pKa 7.90(H2O) (Uncertain);9.47 (Uncertain);15.75 (Uncertain)
- form
- Solid
- color
- Light Beige
- Major Application
- food and beveragespharmaceutical
- InChIKey
- SATMZMMKDDTOSQ-UHFFFAOYSA-N
- SMILES
- [nH]1c2c(c3c1cc(cc3)O)ccnc2C
- FDA UNII
- 7 PQ075MCA6 · 7PQ075MCA6
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · WGK 3
- HS Code
- 2933.99 · 2933.99.8290
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- hs_code
- 2933.99.8290
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
Chemistry & industry
Applications
Usesfood and beveragespharmaceutical
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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