Oxan-3-amine

HCID 5200320

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Basic information

CAS: 120811-32-7
Standard SMILES: NC1CCCOC1
InChIKey: WUUOEJJGRCQGBQ-UHFFFAOYSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

Preferred name: Oxan-3-amine
IUPAC: oxan-3-amine
English name: 2H-Pyran-3-amine, tetrahydro-
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

oxan-3-amineRefChem:857047675-842-0tetrahydro-2H-pyran-3-amine120811-32-7Tetrahydro-pyran-3-ylamineTetrahydropyran-3-ylamine2H-PYRAN-3-AMINE, TETRAHYDRO-tetrahydropyran-3-amineMFCD07371531Tetrahydro-2H-pyran-3-amine HClALBB-005268

Show more names

CBI-BB ZERO/0048092H-PYRAN-3-AE,TETRAHYDRO-Tetrahydro-2H-pyran-3-amine hydrochloridetetrahydro-2H-pyran-3-amine(SALTDATA: HCl)

3-aminotetrahydropyran2H-3,4,5,6-tetrahydropyran-3-ylamine3-Aminotetrahydropyran HCl2H-Pyran-3-amine,tetrahydro-(S)-3-Aminotetrahydropyran3-Amino-1H-tetrahydropyrantetrahydro-pyran-3-yl amineSCHEMBL57654

Database identifiers

CAS: 120811-32-7
PubChem CID: 5200320
DTXSID: DTXSID70409440
EC Number: 675-842-0

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Boiling point: 151.4 · 151.4±33.0 °C(Predicted)
Density: 0.962 · 0.962±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
form: liquid
pka: 9.97 · 9.97±0.20(Predicted)
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-37/38-41
Safety Statements: 26 · 26-39
HazardClass: IRRITANT
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (25%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.