Pinoline

HCID 1868
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Basic information

CAS
20315-68-8
Standard SMILES
COc1ccc2[nH]c3c(c2c1)CCNC3
InChIKey
QYMDEOQLJUUNOF-UHFFFAOYSA-N
Molecular formula
C12H14N2O
Average molar mass
202.25 g/mol
Monoisotopic mass
202.11061307

Overview

Pinoline has been reported in Phyllodium pulchellum with data available.

Names & identifiers

Preferred name
Pinoline
IUPAC
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
English name
6-METHOXY-1,2,3,4-TETRAHYDRO-BETA-CARBOLINE
Molecular formula
C12H14N2O
Molecular weight
202.25

Names & synonyms

20315-68-8pinoline6-methoxytryptoline6-Methoxy-1,2,3,4-tetrahydro-beta-carboline1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-6-methoxy-BR3W85U4GS2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indole1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-6-methoxy-DTXSID301742032,3,4,9-Tetrahydro-6-methoxy-1H-pyrido[3,4-b]indole6-methoxytetrahydronorharmaneRefChem:543755
Show more names
6-meothbEOS-62128AKOS JY20829146-Methoxytetrahydro-b-carboline6-methoxytetrahydro-beta-carboline6-methoxy-1,2,3,4-tetrahydro-β-carboline
6-methoxy-1,2,3,4-tetrahydro beta-carbolineDTXCID50966946-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole6-MeOthbc6-methoxy-2,3,4,9-tetrahydro-1H-beta-carbolineMFCD000120716-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4b] indole

Database identifiers

CAS
20315-68-8
PubChem CID
1868
DTXSID
DTXSID30174203
ChEMBL
CHEMBL266084
UNII
BR3W85U4GS
EC Number
633-838-6
Nikkaji
J66.648C

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
37.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
219 · 219-222 °C(lit.)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
Appearance
Off-white to light brown Solid
FDA UNII
3 W85U4GS · BR3W85U4GS
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
rtecs
UV0725000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Pharmacology

Metabolism/MetabolitesPinoline has known human metabolites that include 1H,2H,3H,4H,9H-pyrido[3,4]indol-6-ol.
MeSH Pharmacological ClassificationDrugs used to prevent SEIZURES or reduce their severity.

Applications

Uses6-Methoxy-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole is a stain/dye. Dyes and metabolites.

Upstream & downstream products

Suppliers75 total

上海康恩博医药科技有限公司17510465506 · [email protected]
广州诚创生物科技有限公司18027266590 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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