CAS 580-19-8 7-Aminoquinoline (HCID 11377)

Substructure search Find similar structures

Basic information

CAS: 580-19-8
Standard SMILES: Nc1ccc2cccnc2c1
InChIKey: RZAUIOKDXQWSQE-UHFFFAOYSA-N
Molecular formula: C9H8N2
Average molar mass: 144.17 g/mol
Monoisotopic mass: 144.06874826

Names & identifiers

Preferred name: 7-Aminoquinoline
IUPAC: quinolin-7-amine
English name: 7-Aminoquinoline
Molecular formula: C9H8N2
Molecular weight: 144.17

Names & synonyms

7-Aminoquinoline580-19-87-Quinolinamine7-QuinolylamineQUINOLINE, 7-AMINO-NSC 58389CCRIS 1682BRN 0113310UNII-CDC9L46LG6CDC9L46LG6DTXSID60206728NSC-58389

Show more names

1242537-Aminoquinolins7-amine-quinolineQuinolin-7-ylamine

5-22-10-00313 (Beilstein Handbook Reference)RefChem:105799DTXCID90129219811-260-77-Quinolinamine (9CI)RZAUIOKDXQWSQE-UHFFFAOYSA-Nquinolin-7-amineMFCD01646243

Database identifiers

CAS: 580-19-8
PubChem CID: 11377
DTXSID: DTXSID60206728
ChEMBL: CHEMBL2138860
UNII: CDC9L46LG6
EC Number: 811-260-7
Nikkaji: J79.671I

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 93.5 · 93.5-94 °C
Boiling point: 324.3 · 324.3±15.0 °C(Predicted)
Density: 1.21 · 1.210±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 6.6 · 6.60±0.14(Predicted)
color: White to Orange to Green
InChI: InChI=1S/C9H8N2/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H,10H2
InChIKey: RZAUIOKDXQWSQE-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C(N)C=2)C=CC=1
CAS DataBase Reference: 580 · 580-19-8
EWG's Food Scores: 1 · 1
FDA UNII: 9 L46LG6 · CDC9L46LG6
NIST Chemistry Reference: 7 · 7-Quinolinamine(580-19-8)
UNSPSC Code: 12352200 · 12352200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.