2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine

HCID 40742

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Basic information

CAS: 53356-51-7
Standard SMILES: NCCN1CCc2ccccc2C1
InChIKey: JTEJMGHPAYJBTA-UHFFFAOYSA-N
Molecular formula: C11H16N2
Average molar mass: 176.26 g/mol
Monoisotopic mass: 176.13134851

Names & identifiers

Preferred name: 2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-amine
IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
English name: 2-(3,4-DIHYDROISOQUINOLIN-2(1H)-YL)ETHANAMINE
Molecular formula: C11H16N2
Molecular weight: 176.26

Names & synonyms

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amineRefChem:450246837-778-32-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine53356-51-72-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamineMFCD017173142(1H)-ISOQUINOLINEETHYLAMINE, 3,4-DIHYDRO-2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine2(1H)-Isoquinolineethanamine, 3,4-dihydro-BRN 13707703,4-Dihydro-2(1H)-isoquinolineethylamine

Show more names

2-(3,4-Dihydroisoquinolin-2(1H)3,4-Dihydro-2(1H)-isoquinolineethanamine2(1H)-IsoquinolineethanaMine,3,4-dihydro-2-(3,4-Dihydro-1H-isoquinolin-2-yl)ethylamine2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethylamine2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine(SALTDATA: 2HCl)

2-(1,2,3,4-Tetrahydro-2-isoquinoline)ethylamineNSC1599575-20-06-00335 (Beilstein Handbook Reference)SCHEMBL335190SCHEMBL29760081DTXSID60201516JTEJMGHPAYJBTA-UHFFFAOYSA-NALBB-005368

Database identifiers

CAS: 53356-51-7
PubChem CID: 40742
DTXSID: DTXSID60201516
EC Number: 837-778-3
Nikkaji: J86.392K

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 158

Physicochemical properties

storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H332-H335-H315-H318
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2933499090
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_class: IRRITANT
Hazard statements: H302-H332-H335-H315-H318
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362