CAS 21584-72-5 6,7-Dimethoxy-4-piperazin-1-yl-quinazoline (HCID 2758484)

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Basic information

CAS: 21584-72-5
Standard SMILES: COc1cc2ncnc(N3CCNCC3)c2cc1OC
InChIKey: HGQPTOFRZXUHHS-UHFFFAOYSA-N
Molecular formula: C14H18N4O2
Average molar mass: 274.32 g/mol
Monoisotopic mass: 274.14297582

Names & identifiers

Preferred name: 6,7-Dimethoxy-4-piperazin-1-yl-quinazoline
IUPAC: 6,7-dimethoxy-4-piperazin-1-ylquinazoline
English name: 6,7-DIMETHOXY-4-PIPERAZIN-1-YL-QUINAZOLINE
Molecular formula: C14H18N4O2
Molecular weight: 274.32

Names & synonyms

6,7-dimethoxy-4-piperazin-1-yl-quinazoline21584-72-5DTXSID10374345RefChem:306229DTXCID503253766,7-dimethoxy-4-(piperazin-1-yl)quinazoline6,7-dimethoxy-4-piperazin-1-ylquinazolineMFCD04973792SCHEMBL2389420HGQPTOFRZXUHHS-UHFFFAOYSA-NAKOS0023651616,7-dimethoxy-4-piperazinylquinazoline

Show more names

Quinazoline, 6,7-dimethoxy-4-(1-piperazinyl)-

DS-0302DB-0071136,7-dimethoxy-4-(1-piperazinyl)quinazolineCS-03206854-(1-piperazinyl)-6,7-dimethoxy quinazoline4-(I-piperazinyl)-6,7-dimethoxy quinazolineF0213051-(6,7-Dimethoxyquinazolin-4-yl)piperazine; 4-Piperazino-6,7-dimethoxyquinazoline

Database identifiers

CAS: 21584-72-5
PubChem CID: 2758484
DTXSID: DTXSID10374345
EC Number: 674-678-7

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 59.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 312

Physicochemical properties

Melting point: 151 · 151-153°
Boiling point: 462.2 · 462.2±40.0 °C(Predicted)
Density: 1.212 · 1.212±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.48 · 9.48±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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, P317, 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.