Basic information
- CAS
13100-00-0- Standard SMILES
CN1CCc2c([nH]c3ccccc23)C1- InChIKey
JOFKCNJIUXPJAC-UHFFFAOYSA-N- Molecular formula
- C12H14N2
- Average molar mass
- 186.25 g/mol
- Monoisotopic mass
- 186.11569846
Names & identifiers
- Preferred name
- 2-Methyl-1,2,3,4-tetrahydro-beta-carboline
- IUPAC
- 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
- English name
- 2-methyltryptoline
- Molecular formula
- C12H14N2
- Molecular weight
- 186.25
Names & synonyms
2-methyltryptoline13100-00-02-Methyl-1,2,3,4-tetrahydro-beta-carboline2-Methyltetrahydro-beta-carbolineDTXSID401568382-Methyl-9H-1,2,3,4-tetrahydropyrido(3,4-b) indoleRefChem:476304DTXCID70793292-Methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole2-METHYL-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-methyl-
Show more names
2-methyl-1,2,3,4-Tetrahydro-β-carboline2-Methyl-tetrahydro-β-carbolineN-METHYL-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
CHEMBL696181,2,3,4-Tetrahydro-2-methyl-b-carboline2-Methyl-2,3,4,9-tetrahydro-1H-b-carbolineNSC6834352-Methyl-2,3,4,9-tetrahydro-1H-beta-carbolinen-methyltetrahydro-beta-carbolineOprea1_539196MLS001049128
Database identifiers
- CAS
13100-00-0- PubChem CID
- 121896
- DTXSID
DTXSID40156838
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 216
Experimental & physicochemical properties
Melting Point216 - 218 °C
Physical DescriptionSolid
Kovats Retention Index1944.3
Physicochemical properties
- Melting point
- 216 · 216-217 °C
- Boiling point
- 326.4 · 326.4±32.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- solubility
- 2 mg/ml; · DMF: 2 mg/ml; DMSO: 1 mg/ml; Ethanol: 1 mg/ml; PBS (pH 7.2): insol
- form
- A crystalline solid
- pka
- 17.28 · 17.28±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm；Extracellular
Applications
Uses2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole is a useful research chemical, a potent antibacterial indole alkaloid from Psychotria pilifera.
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
成都圣美凯生物科技有限公司028-85157043 15882256948 · [email protected]
Additional notes
DefinitionChEBI: 1,2,3,4-Tetrahydro-2-methyl-b-carboline is a member of beta-carbolines.
Related reactions
9 records
Compound notes
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