Basic information
- CAS
4630-20-0- Standard SMILES
Cc1ccc2[nH]c3ccccc3c2c1- InChIKey
PHKYYUQQYARDIU-UHFFFAOYSA-N- Molecular formula
- C13H11N
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.08914936
Overview
3-Methyl-9H-carbazole has been reported in Glycosmis pentaphylla, Murraya euchrestifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-Methylcarbazole
- IUPAC
- 3-methyl-9H-carbazole
- English name
- 3-METHYLCARBAZOLE
- Molecular formula
- C13H11N
- Molecular weight
- 181.23
Names & synonyms
3-Methyl-9H-carbazole4630-20-03-METHYLCARBAZOLE18UX66Z45KNSC-10154DTXSID90196805RefChem:94856DTXCID90119296225-048-19H-Carbazole, 3-methyl-MFCD00464338NSC 10154
Show more names
3-Methyl-9H-carbazole >3-Methyl-9H-carbazole3-Methylcarbazole in toluene3-Methylcarbazole, 10 mM in DMSO
6-methylcarbazoleEINECS 225-048-1Carbazole, 3-methyl-3-Methyl-9H-carbazole #SCHEMBL262221UNII-18UX66Z45Korb1685703orb2900744
Database identifiers
- CAS
4630-20-0- PubChem CID
- 20746
- DTXSID
DTXSID90196805- ChEMBL
CHEMBL1173768- UNII
- 18UX66Z45K
- EC Number
- 225-048-1
- Nikkaji
- J46.570D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 265 ℃ · 265℃
- Boiling point
- 365 °C · 365°C(lit.)
- Density
- 1.0941 · 1.0941 (rough estimate)
- refractive index
- 1.6191 · 1.6191 (estimate)
- storage temp.
- 4 °C, · 4°C, protect from light
- form
- powder to crystal
- color
- White to Light yellow
- λmax
- 342 nm · 342nm(EtOH)(lit.)
- InChI
- InChI=1S/C13H11N/c1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
- InChIKey
- PHKYYUQQYARDIU-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2)C2=C1C=CC(C)=C2
- CAS DataBase Reference
- 4630 · 4630-20-0
- FDA UNII
- 18 UX66Z45K · 18UX66Z45K
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933.99.8290
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses3-Methylcarbazole is an carbazole alkaloid compound with anticancer effects. 3-Methylcarbazole shows growth inhibitory activity (IC50 of 25 μg/mL) on human fibrosarcoma HT-1080 cells[1].
Upstream & downstream products
Upstream raw materials
Suppliers67 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
6 records
Compound notes
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