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

HCID 3375768
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Basic information

CAS
162648-46-6
Standard SMILES
CN1CCCc2cc(C(=O)O)ccc21
InChIKey
NSGXPBOALKQVNP-UHFFFAOYSA-N
Molecular formula
C11H13NO2
Average molar mass
191.23 g/mol
Monoisotopic mass
191.09462866

Names & identifiers

Preferred name
1-Methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
IUPAC
1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
English name
1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
Molecular formula
C11H13NO2
Molecular weight
191.23

Names & synonyms

162648-46-61-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid1-Methyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid1-methyl-3,4-dihydro-2H-quinoline-6-carboxylic AcidMFCD009567246-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-1-methyl-NSGXPBOALKQVNP-UHFFFAOYSA-NSCHEMBL2817935SCHEMBL30041535DTXSID20391922AKOS000303292AS-70149
Show more names
1-PYRIMIDIN-4-YLMETHANAMINE1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-C1-methyl-3,4-dihydro-2H-quinoline-6-carboxylicaci1,2,3,4-Tetrahydro-1-methyl-6-quinolinecarboxylic acid1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylic acid - [M83391]1-METHYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-CARBOXYLIC ACID ISO 9001：2015 REACH
SY266980DB-019238CS-0318465C80011F0588941-methyl-1,2,3,4-tetrahydroquinolin-6-carboxylic acid1-methyl-1,2,3,4-tetrahydroquinoline-6-carboxylicacid

Database identifiers

CAS
162648-46-6
PubChem CID
3375768
DTXSID
DTXSID20391922
EC Number
116-510-2

Properties

Computed structural properties

XLogP
2
Topological polar surface area
40.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Boiling point
390.7 · 390.7±35.0 °C(Predicted)
Density
1.196 · 1.196
storage temp.
2 · 2-8°C
pka
5.1 · 5.10±0.20(Predicted)
form
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)

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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory 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 information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hazard_class
IRRITANT
Storage Class
11 - Combustible Solids

Chemistry & industry

Suppliers23 total

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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