1,2,3,4-Tetrahydro-1-methylquinoline

HCID 68109
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Basic information

CAS
491-34-9
Standard SMILES
CN1CCCc2ccccc21
InChIKey
YVBSECQAHGIWNF-UHFFFAOYSA-N
Molecular formula
C10H13N
Average molar mass
147.22 g/mol
Monoisotopic mass
147.10479942

Names & identifiers

Preferred name
1,2,3,4-Tetrahydro-1-methylquinoline
IUPAC
1-methyl-3,4-dihydro-2H-quinoline
English name
1,2,3,4-Tetrahydro-1-methylquinoline
Molecular formula
C10H13N
Molecular weight
147.22

Names & synonyms

1-methyl-1,2,3,4-tetrahydroquinoline1,2,3,4-Tetrahydro-1-methylquinolinekairoline1-methyl-3,4-dihydro-2H-quinolineKairolinn-methyl-1,2,3,4-tetrahydroquinolineQuinoline, 1,2,3,4-tetrahydro-1-methyl-XC9SZX9PTXKUZOL AEINECS 207-733-7CHEBI:190941DTXSID30197679
Show more names
l-Methyl-1,2,3,4-tetrahydroquinolineQuinoline,1,2,3,4-tetrahydro-1-methyl-
RefChem:71301DTXCID40120170491-34-9MFCD00130001kairoline MmethyltetrahydroquinolineUNII-XC9SZX9PTXCHEMBL57038

Database identifiers

CAS
491-34-9
PubChem CID
68109
DTXSID
DTXSID30197679
ChEMBL
CHEMBL57038
ChEBI
CHEBI:190941
UNII
XC9SZX9PTX
EC Number
207-733-7
Nikkaji
J6.055K

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1377

Physicochemical properties

Melting point
114 °C · 114 °C
Boiling point
257.35 °C · 257.35°C (rough estimate)
Density
1.022 · 1.0220
refractive index
1.5802 · 1.5802 (estimate)
storage temp.
Sealed in dry,Room Temperature
pka
6.07 · 6.07±0.20(Predicted)

Safety & regulation

Safety data

hs_code
2933499090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers52 total

上海康恩博医药科技有限公司17510465506 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Additional notes

DefinitionChEBI: A tertiary amine consisting of 1,2,3,4-tetrahydroquinoline having an N-methyl substituent.

Related reactions

15 records
New reaction record

Compound notes

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