CAS 158753-17-4 8-Aminoquinoline-7-carboxaldehyde (HCID 11052098)

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Basic information

CAS: 158753-17-4
Standard SMILES: Nc1c(C=O)ccc2cccnc12
InChIKey: ZAMLCNSCTZZXCU-UHFFFAOYSA-N
Molecular formula: C10H8N2O
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.06366288

Names & identifiers

Preferred name: 8-Aminoquinoline-7-carboxaldehyde
IUPAC: 8-aminoquinoline-7-carbaldehyde
English name: 8-Amino-7-quinolinecarbaldehyde
Molecular formula: C10H8N2O
Molecular weight: 172.18

Names & synonyms

8-Aminoquinoline-7-carboxaldehydeRefChem:547596815-124-88-aminoquinoline-7-carbaldehyde158753-17-48-AMINO-7-QUINOLINECARBALDEHYDE7-Quinolinecarboxaldehyde, 8-amino-MFCD111105548-Amino-quinoline-7-carbaldehyde8-AMINO-7-QUINOLINECARBOXALDEHYDESCHEMBL1012172DTXSID00453375

Show more names

8-aminoquinoline-7-methylaldehyde

8-amino-7-quinoline carboaldehydeZAMLCNSCTZZXCU-UHFFFAOYSA-NIGA75317AKOS0063090068-Aminoquinoline-7-carbaldehyde, 97%PS-11558SY271975DB-064244

Database identifiers

CAS: 158753-17-4
PubChem CID: 11052098
DTXSID: DTXSID00453375
EC Number: 815-124-8
Nikkaji: J738.134D

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 56 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 195

Physicochemical properties

Boiling point: 381.4 · 381.4±32.0 °C(Predicted)
Density: 1.317 · 1.317
refractive index: 1.749 · 1.749
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: crystalline powder
pka: 2.28 · 2.28±0.14(Predicted)
color: Bright lemon (hint of lime) /tiny flakes
InChI: InChI=1S/C10H8N2O/c11-9-8(6-13)4-3-7-2-1-5-12-10(7)9/h1-6H,11H2
InChIKey: ZAMLCNSCTZZXCU-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(C=O)C=2N)C=CC=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261
HazardClass: IRRITANT
HS Code: 2933499090 · 2933499090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.