3-Methylisoquinoline

Modify Date: 2026-07-08 12:23:46

3-Methylisoquinoline Structure
3-Methylisoquinoline structure
Common Name 3-Methylisoquinoline
CAS Number 1125-80-0 Molecular Weight 143.185
Density 1.1±0.1 g/cm3 Boiling Point 246.0±0.0 °C at 760 mmHg
Molecular Formula C10H9N Melting Point 63-65 °C(lit.)
MSDS N/A Flash Point 106.8±11.4 °C

 Names

Name 3-Methylisoquinoline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 246.0±0.0 °C at 760 mmHg
Melting Point 63-65 °C(lit.)
Molecular Formula C10H9N
Molecular Weight 143.185
Flash Point 106.8±11.4 °C
Exact Mass 143.073502
PSA 12.89000
LogP 2.42
Vapour Pressure 0.0±0.4 mmHg at 25°C
Index of Refraction 1.625
InChIKey FVVXWRGARUACNW-UHFFFAOYSA-N
SMILES Cc1cc2ccccc2cn1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX2000000
CHEMICAL NAME :
Isoquinoline, 3-methyl-
CAS REGISTRY NUMBER :
1125-80-0
BEILSTEIN REFERENCE NO. :
0110357
LAST UPDATED :
199710
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H9-N
MOLECULAR WEIGHT :
143.20

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
RTECS NX2000000
Hazard Class 9.0
HS Code 2933499090

 Synthetic Route

 Customs

HS Code 2933499090
Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 3-MethylisoquinolineBioassay

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Name: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR101
Name: qHTS for Inhibitors of Polymerase Iota
Source: NCGC
Target: DNA polymerase iota [Homo sapiens]
External Id: PolI100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100
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 Synonyms

3-Methylisoquinoline
EINECS 214-412-5
MFCD00024139
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