5-Quinolinamine, 2-methyl-

HCID 148683

Notes Reactions

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Basic information

CAS: 54408-50-3
Standard SMILES: Cc1ccc2c(N)cccc2n1
InChIKey: UNSLQFMTPYHZDA-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Names & identifiers

Preferred name: 5-Quinolinamine, 2-methyl-
IUPAC: 2-methylquinolin-5-amine
English name: 5-Aminoquinaldine
Molecular formula: C10H10N2
Molecular weight: 158.2

Names & synonyms

54408-50-32-Methyl-5-quinolinamine5-Quinolinamine, 2-methyl-DTXSID20202802RefChem:304867DTXCID101252932-methylquinolin-5-amine5-Aminoquinaldine5-amino-2-methylquinolin5-Amino-2-methylquinolineMFCD00457006SCHEMBL564279

Show more names

AKOS 92235AKOS BB-7774ASISCHEM C752105-AminoquildineAKOS BBS-00001935ZERENEX E/5111123CHEMBRDG-BB 4100117

F2124-00402-Methyl-quinolin-5-ylamineAMY4303UNSLQFMTPUNSLQFMTPYHZDA-UHFFFAOYSA-NSBB039329STK004807ZB1059

Database identifiers

CAS: 54408-50-3
PubChem CID: 148683
DTXSID: DTXSID20202802
Nikkaji: J89.862G

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 117 · 117-118°C
Boiling point: 316.6 · 316.6±27.0 °C(Predicted)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 6.39 · 6.39±0.50(Predicted)
color: Orange
CAS DataBase Reference: 54408 · 54408-50-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315-H302+H312+H332
Precautionary statements: 260 · P260-P271-P280
HS Code: 2933499090 · 2933499090

Safety & regulation

Safety data

hs_code: 2933499090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315-H302+H312+H332
Precautionary statements: P260-P271-P280

Chemistry & industry

Applications

Uses5-Aminoquinaldine is used in organic synthesis and pharmaceutical intermediates.the reaction of 5-aminoquinaldine (IX) with glycerol under the conditions of the skraup reaction gave a 25% yield of 8-methyl-1,7-phenanthroline.

Preparation methods · 1 item

PreparationIn existing technologies, domestic and international literature reports mainly use aniline as a raw material, which is then cyclically synthesized into a quinoline ring with ethyl acetoacetate at 250°C. The resulting ring is then nitrated to obtain 5-nitro-2-methylquinoline, and finally, the target product 5-Aminoquinaldine is obtained under catalytic hydrogenation.

Suppliers76 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

55 records

New reaction record

HRID 98336As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 148804As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 189451As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 288532As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 600753As reactantuspto-grants-2011_03

HRID 687203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 698314As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 702624As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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