CAS 20717-43-5 2-Methyldecahydroquinoline (mixture of isomers) (HCID 524016)

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Basic information

CAS: 20717-43-5
Standard SMILES: CC1CCC2CCCCC2N1
InChIKey: FJRLSRUBXMUSOC-UHFFFAOYSA-N
Molecular formula: C10H19N
Average molar mass: 153.26 g/mol
Monoisotopic mass: 153.15174961

Names & identifiers

Preferred name: 2-Methyldecahydroquinoline (mixture of isomers)
IUPAC: 2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
English name: 2-Methyldecahydroquinoline (mixture of isomers)
Molecular formula: C10H19N
Molecular weight: 153.26

Names & synonyms

20717-43-5RefChem:476038835-882-3Decahydroquinoline, 2-methyl2-methyldecahydroquinolineMFCD205476632-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline2-METHYL-DECAHYDROQUINOLINEdecahydro-quinaldineSCHEMBL4666029SCHEMBL4704514DTXSID001377052

Show more names

Quinoline, decahydro-2-methyl-2-Methyldecahydroquinoline (mixture of isomers)

quinoline, trans-decahydro-2-methyl-SY246080M31892-Methyldecahydroquinoline(mixture of isomers)EN300-6729058

Database identifiers

CAS: 20717-43-5
PubChem CID: 524016
DTXSID: DTXSID001377052
EC Number: 835-882-3
Nikkaji: J82.187J

Properties

Computed structural properties

XLogP: 2.4
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

Experimental & physicochemical properties

Kovats Retention Index1218

Physicochemical properties

Melting point: 178 °C · 178 °C
Boiling point: 206 °C · 206 °C
Density: 0.9308 g/cm3 · 0.9308 g/cm3
refractive index: 1.48 · 1.48
form: clear liquid
pka: 10.91 · 10.91±0.40(Predicted)
color: Colorless to Light yellow to Light orange
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2933.49 · 2933.49.7000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

hs_code: 2933.49.7000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P