CAS 720706-20-7 (4-Aminooxan-4-yl)methanol (HCID 18316484)

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Basic information

CAS: 720706-20-7
Standard SMILES: NC1(CO)CCOCC1
InChIKey: GICNBHGJGXBSBL-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.09462866

Names & identifiers

Preferred name: (4-Aminooxan-4-yl)methanol
IUPAC: (4-aminooxan-4-yl)methanol
English name: (4-Amino-tetrahydro-pyran-4-yl)-methanol
Molecular formula: C6H13NO2
Molecular weight: 131.17

Names & synonyms

720706-20-7(4-aminooxan-4-yl)methanolDTXSID905927424-AMINOTETRAHYDRO-2H-PYRAN-4-METHANOLRefChem:402401DTXCID80543506819-007-2(4-AMINO-4-TETRAHYDROPYRANYL)METHANOL(4-AMINOTETRAHYDRO-2H-PYRAN-4-YL)METHANOL(4-Amino-tetrahydro-pyran-4-yl)-methanolMFCD041155784-AMINO-4-HYDROXYMETHYL-TETRAHYDRO-2H-PYRAN

Show more names

4-AMino-4-hydroxyMethyl-t...(4-aminooxan-4-yl)methanol - [A8034]4-AMino-4-hydroxyMethyltetrahydropyran2H-Pyran-4-methanol, 4-aminotetrahydro-

(4-Amino-tetrahydro-2H-pyran-4-yl)methanol(4-aminotetrahydropyran-4-yl)methanol(4-aminotetrahydropyran-4-yl)-methanol(4-amino-tetrahydropyran-4-yl)methanolSCHEMBL13509604-Aminotetrahydropyran-4-methanolGICNBHGJGXBSBL-UHFFFAOYSA-NAKOS005146209

Database identifiers

CAS: 720706-20-7
PubChem CID: 18316484
DTXSID: DTXSID90592742
EC Number: 819-007-2

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 55.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 89.1

Physicochemical properties

Boiling point: 231 · 231.0±25.0 °C(Predicted)
Density: 1.074 · 1.074±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 14.85 · 14.85±0.10(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
RIDADR: 1760 · UN1760

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

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