1-(Oxan-2-yl)-1H-indazol-4-amine

HCID 44118232

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Basic information

CAS: 1053655-57-4
Standard SMILES: Nc1cccc2c1cnn2C1CCCCO1
InChIKey: VXUKYBXQNXUXQM-UHFFFAOYSA-N
Molecular formula: C12H15N3O
Average molar mass: 217.27 g/mol
Monoisotopic mass: 217.12151211

Names & identifiers

Preferred name: 1-(Oxan-2-yl)-1H-indazol-4-amine
IUPAC: 1-(oxan-2-yl)indazol-4-amine
English name: 1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-4-amine
Molecular formula: C12H15N3O
Molecular weight: 217.27

Names & synonyms

1053655-57-41-(oxan-2-yl)-1H-indazol-4-amineDTXSID60656784RefChem:226867DTXCID606075341-(Tetrahydro-2H-pyran-2-yl)-1H-indazol-4-amine4-Amino-1-(tetrahydropyranyl)-1H-indazole1-(oxan-2-yl)indazol-4-amineMFCD106991681-tetrahydropyran-2-ylindazol-4-amineSCHEMBL168052AKOS005258468

Show more names

1-(tetrahydro-2H-pyran-2-yl)-4-AMino-1H-indazole4-Amino-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole1H-Indazol-4-amine, 1-(tetrahydro-2H-pyran-2-yl)-

AS-673AS-67300SY308249DB-059337CS-01552444-Amino-1-(tetrahydro-2H-pyran-2-yl)indazoleD82108F217567

Database identifiers

CAS: 1053655-57-4
PubChem CID: 44118232
DTXSID: DTXSID60656784
EC Number: 802-627-2

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 53.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Boiling point: 428.7 · 428.7±35.0 °C(Predicted)
Density: 1.36 · 1.36±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.22 · 3.22±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
WGK Germany: 3 · 3
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Safety data

wgk: 3
hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses4-Amino-1-(tetrahydropyranyl)-1H-indazole is used as a reactant in the preparation of biheteroaryl arylamines as selective inhibitors of phosphoinositol 3-kinases (PI3K) and their selectivities for PI3K over mTOR and antitumor activities.