Basic information
- CAS
380432-30-4- Standard SMILES
CN1CCc2nc3ccccc3c(C(=O)O)c2C1- InChIKey
YJLLXEJOXOYNGU-UHFFFAOYSA-N- Molecular formula
- C14H14N2O2
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.10552769
Names & identifiers
- Preferred name
- 2-methyl-1H,2H,3H,4H-benzo(b)1,6-naphthyridine-10-carboxylic acid
- IUPAC
- 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
- English name
- 2-Methyl-1,2,3,4-tetrahydro-benzo[b][1,6]-naphthyridine-10-carboxylic acid
- Molecular formula
- C14H14N2O2
- Molecular weight
- 242.27
Names & synonyms
380432-30-42-methyl-1H,2H,3H,4H-benzo[b]1,6-naphthyridine-10-carboxylic acid2-methyl-1H,2H,3H,4H-benzo(b)1,6-naphthyridine-10-carboxylic acidRefChem:474937107-486-42-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine-10-carboxylic acidMFCD031507882-Methyl-1,2,3,4-tetrahydro-benzo[b][1,6]naphthyridine-10-carboxylic acid2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid2-Methyl-1,2,3,4-tetrahydro-benzo[b][1,6]-naphthyridine-10-carboxylic acidbenzo[b][1,6]naphthyridine-10-carboxylic acid, 1,2,3,4-tetrahydro-2-methyl-2-methyl-1,2,3,4-tetrahydropyridino[4,3-b]quinoline-10-carboxylic acid
Show more names
SBB011826BAS 11469393AKOS BC-2720ZINC00216500TIMTEC-BB SBB011826IFLAB-BB F1142-0293ASINEX-REAG BAS 11469393
2-methyl-1,2,3,4-tetrahydrobenzo[b]-1,6-naphthyridine-10-carboxylic acidPeakdale1_002772Oprea1_504373CHEMBL2430554SCHEMBL14125370HMS525N22HMS5214A20ALBB-015852
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Physicochemical properties
- Boiling point
- 419.6 · 419.6±45.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 2.27 · 2.27±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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