8-Methoxy-1,2,3,4-tetrahydroquinoline

HCID 5200345CAS 53899-17-5

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Basic information

Standard SMILES: COc1cccc2c1NCCC2
InChIKey: ZPRWUIXDTQZKJO-UHFFFAOYSA-N
Molecular formula: C10H13NO
Average molar mass: 163.22 g/mol
Monoisotopic mass: 163.09971404

Names & identifiers

Preferred name: 8-Methoxy-1,2,3,4-tetrahydroquinoline
IUPAC: 8-methoxy-1,2,3,4-tetrahydroquinoline
English name: 8-METHOXY-1,2,3,4-TETRAHYDROQUINOLINE
Molecular formula: C10H13NO
Molecular weight: 163.22

Names & synonyms

8-methoxy-1,2,3,4-tetrahydroquinoline53899-17-5DTXSID90409447RefChem:312115DTXCID20360299837-373-18-methoxy-1,2,3,4-tetrahydro-quinolineMFCD078003078-methoxy-1,2,3,4-tetrahydroquinoline hydrobromideQuinoline, 1,2,3,4-tetrahydro-8-methoxy-quinoline, 1,2,3,4-tetrahydro-8-methoxy-, hydrobromideSCHEMBL301029

Show more names

SCHEMBL2333682ALBB-026195EOS-60440SBB013010STK664173AKOS000124110BS-13636ST093054

Database identifiers

CAS: 53899-17-5
PubChem CID: 5200345
DTXSID: DTXSID90409447
EC Number: 837-373-1
Nikkaji: J1.864.341C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 67 · 67-69 °C
Boiling point: 255 · 255-260 °C(Press: 0.1 Torr)
Density: 1.044 · 1.044±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 5.05 · 5.05±0.20(Predicted)
Appearance: Yellow to brown Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.