7-Methyl-1,2,3,4-tetrahydroquinoline

HCID 458680

Notes Reactions

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Basic information

CAS: 58960-03-5
Standard SMILES: Cc1ccc2c(c1)NCCC2
InChIKey: SYFXGQYGECZNFQ-UHFFFAOYSA-N
Molecular formula: C10H13N
Average molar mass: 147.22 g/mol
Monoisotopic mass: 147.10479942

Names & identifiers

Preferred name: 7-Methyl-1,2,3,4-tetrahydroquinoline
IUPAC: 7-methyl-1,2,3,4-tetrahydroquinoline
English name: 7-Methyl-1,2,3,4-tetrahydroquinoline
Molecular formula: C10H13N
Molecular weight: 147.22

Names & synonyms

7-methyl-1,2,3,4-tetrahydroquinoline58960-03-5DTXSID10332546RefChem:311009DTXCID00283639872-147-6MFCD076583807-methyl-1,2,3,4-tetrahydro-quinoline1,2,3,4-tetrahydro-7-methquinolineQuinoline, 1,2,3,4-tetrahydro-7-methyl-SCHEMBL3111834SCHEMBL17969170

Show more names

SCHEMBL30634161SYFXGQYGECZNFQ-UHFFFAOYSA-NICA96003STK688712AKOS005601289MB04674ST086303SY190475

Database identifiers

CAS: 58960-03-5
PubChem CID: 458680
DTXSID: DTXSID10332546
EC Number: 872-147-6
Nikkaji: J2.035.206J

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 133

Physicochemical properties

Boiling point: 263.1 · 263.1±25.0 °C(Predicted)
Density: 0.99 · 0.990±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 5.26 · 5.26±0.20(Predicted)
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.