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HCID 3375768Erstellt: 27. Oktober 2026

1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

1-PYRIMIDIN-4-YLMETHANAMINE · 1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-C · 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylicaci · 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid · 1,2,3,4-Tetrahydro-1-methyl-6-quinolinecarboxylic acid · 1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid · 6-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl- · 1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid - [M83391]

https://huagongshe.com/de/chemical/3375768

Molekülstruktur von 1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

Identifikatoren & physikalische Daten

CAS No.	162648-46-6
Summenformel	C11H13NO2
Durchschnittliche Molmasse	191,23 g/mol
Monoisotopische Masse	191,09462866 g/mol
SMILES	CN1CCCc2cc(C(=O)O)ccc21
InChIKey	NSGXPBOALKQVNP-UHFFFAOYSA-N
PubChem CID	3375768
EC No.	116-510-2
DTXSID	DTXSID20391922

Chemische & physikalische Eigenschaften

XLogP	2
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	229
Siedepunkt	390.7±35.0 °C(Predicted)
Dichte	1.196
Lagerbedingungen	2-8°C
pKa (Säurekonstante)	5.10±0.20(Predicted)
Aggregatzustand	solid
InChI	1S/C11H13NO2/c1-12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChIKey	NSGXPBOALKQVNP-UHFFFAOYSA-N
SMILES	CN1C(C=C2)=C(CCC1)C=C2C(O)=O

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
Gefahrenklasse	IRRITANT
Lagerklasse	11 - Combustible Solids

1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

CAS No.

162648-46-6

Summenformel

C11H13NO2

Durchschnittliche Molmasse

191,23 g/mol

Monoisotopische Masse

191,09462866 g/mol

SMILES

CN1CCCc2cc(C(=O)O)ccc21

InChIKey

NSGXPBOALKQVNP-UHFFFAOYSA-N

PubChem CID

3375768

EC No.

116-510-2

DTXSID

DTXSID20391922

Chemische & physikalische Eigenschaften

XLogP

Polarare Oberfläche (TPSA)

40,5

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

229

Siedepunkt

390.7±35.0 °C(Predicted)

Dichte

1.196

Lagerbedingungen

2-8°C

pKa (Säurekonstante)

5.10±0.20(Predicted)

Aggregatzustand

solid

InChI

1S/C11H13NO2/c1-12-6-2-3-8-7-9(11(13)14)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3,(H,13,14)

InChIKey

NSGXPBOALKQVNP-UHFFFAOYSA-N

SMILES

CN1C(C=C2)=C(CCC1)C=C2C(O)=O

Sicherheit & Vorschriften

GHS-Einstufung

WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

Hazard Classes and Categories

Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

Gefahrenklasse

IRRITANT

Lagerklasse

11 - Combustible Solids