1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile

Modify Date: 2025-08-25 11:31:21

1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile Structure
1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile structure
Common Name 1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile
CAS Number 149355-52-2 Molecular Weight 158.200
Density 1.1±0.1 g/cm3 Boiling Point 301.5±42.0 °C at 760 mmHg
Molecular Formula C10H10N2 Melting Point N/A
MSDS USA Flash Point 136.2±27.9 °C

 Names

Name 1,2,3,4-tetrahydroisoquinoline-7-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 301.5±42.0 °C at 760 mmHg
Molecular Formula C10H10N2
Molecular Weight 158.200
Flash Point 136.2±27.9 °C
Exact Mass 158.084396
PSA 35.82000
LogP 0.84
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.595
InChIKey LJFNUFCUPDECPC-UHFFFAOYSA-N
SMILES N#Cc1ccc2c(c1)CNCC2

 Safety Information

Risk Phrases 20/21/22
Safety Phrases S22
RIDADR UN 3439
HS Code 2933499090

 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%

 Bioassay

View more

Name: Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK293 cel...
Source: ChEMBL
Target: D(2) dopamine receptor
External Id: CHEMBL4053560
Name: Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293 cell...
Source: ChEMBL
Target: D(3) dopamine receptor
External Id: CHEMBL4053561
Name: Binding affinity to human PNMT
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL890212
Name: Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (P...
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL760054
Name: Displacement of [3H]clonidine from adrenergic alpha2 receptor in Sprague-Dawley rat c...
Source: ChEMBL
Target: Alpha-2A adrenergic receptor
External Id: CHEMBL890213
Name: Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor
Source: ChEMBL
Target: Alpha-2A adrenergic receptor
External Id: CHEMBL641405
Name: Selectivity for human PNMT over Sprague-Dawley rat adrenergic alpha-2 receptor
Source: ChEMBL
Target: N/A
External Id: CHEMBL890214
Name: In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-trans...
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL764113
Name: Agonist activity at D2 long receptor (unknown origin) expressed in CHOK1 cells assess...
Source: ChEMBL
Target: D(2) dopamine receptor
External Id: CHEMBL4053568
Name: In vitro inhibitory activity against Alpha-2 adrenergic receptor using [3H]clonidine ...
Source: ChEMBL
Target: Alpha-2A adrenergic receptor
External Id: CHEMBL649642
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 Synonyms

1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile
1,2,3,4-tetrahydroisoquinolin-7-carbonitrile
7-Cyano-1,2,3,4-tetrahydroisoquinoline
1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile
F2167-0036
1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile
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