2-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine

HCID 224967CAS 7597-22-0

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Basic information

Standard SMILES: Clc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIKey: WYCCBNGHFYBVOM-UHFFFAOYSA-N
Molecular formula: C11H16ClN5O2
Average molar mass: 285.73 g/mol
Monoisotopic mass: 285.09925243

Names & identifiers

Preferred name: 2-Chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
IUPAC: 4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
English name: 2-CHLORO-4,6-DIMORPHOLIN-4-YL-1,3,5-TRIAZINE
Molecular formula: C11H16ClN5O2
Molecular weight: 285.73

Names & synonyms

7597-22-02-chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazineDTXSID00279734RefChem:1062766DTXCID802308882-chloro-4,6-dimorpholino-1,3,5-triazine2-Chloro-4,6-di-4-morpholinyl-1,3,5-triazine2-chloro-4,6-di(morpholin-4-yl)-1,3,5-triazine2-Chloro-4,6-dimorpholin-4-yl-1,3,5-triazine1,3,5-Triazine, 2-chloro-4,6-di-4-morpholinyl-4,4'-(6-chloro-1,3,5-triazine-2,4-diyl)dimorpholine4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine

Show more names

EOS-60916mTOR ligand 1

MFCD00432885NSC-13893NSC-568414-(4-CHLORO-6-MORPHOLINO-1,3,5-TRIAZIN-2-YL)MORPHOLINENSC568414YR9KF6TFFNCIOpen2_002522Oprea1_108899

Database identifiers

CAS: 7597-22-0
PubChem CID: 224967
DTXSID: DTXSID00279734
UNII: 4YR9KF6TFF
Nikkaji: J1.963.880D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 260

Physicochemical properties

Melting point: 175 · 175-176 °C
Boiling point: 508.3 · 508.3±60.0 °C(Predicted)
Density: 1.375 · 1.375±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: 5.15 · 5.15±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313