CAS 7179-86-4 N-Ethyltetrahydrofurfurylamine (HCID 98295)

Substructure search Find similar structures

Basic information

CAS: 7179-86-4
Standard SMILES: CCNCC1CCCO1
InChIKey: HLSDMLXXPIEJFI-UHFFFAOYSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.1153641

Names & identifiers

Preferred name: N-Ethyltetrahydrofurfurylamine
IUPAC: N-(oxolan-2-ylmethyl)ethanamine
English name: N-ethyltetrahydrofurfurylamine
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

7179-86-4N-EthyltetrahydrofurfurylamineN-Ethyltetrahydro-2-furanmethanamineEINECS 230-543-0DTXSID601291355NSC 97515RefChem:830024DTXCID001721948230-543-0ethyl(oxolan-2-ylmethyl)amineethyl[(oxolan-2-yl)methyl]amineN-(oxolan-2-ylmethyl)ethanamine

Show more names

2-Furanmethanamine, N-ethyltetrahydro-N-(tetrahydrofuran-2-ylmethyl)ethanamine(SALTDATA: FREE)

N-((Tetrahydrofuran-2-yl)methyl)ethanamineN-(tetrahydrofuran-2-ylmethyl)ethanamineMFCD00069031N-(tetrahydro-2-furanylmethyl)ethanamineNSC97515SCHEMBL509597SCHEMBL2448780SCHEMBL2448784

Database identifiers

CAS: 7179-86-4
PubChem CID: 98295
DTXSID: DTXSID601291355
EC Number: 230-543-0
Nikkaji: J28.140I

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 75

Physicochemical properties

Melting point: 131 °C · 131 °C
Boiling point: 170 · 170-171 °C
Density: 0.913 g/cm3 · 0.913 g/cm3(Temp: 21 °C)
pka: 9.74 · 9.74±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H318-H227-H315
Precautionary statements: 280 · P280-P305+P351+P338-P310-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P370+P378, P403, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H335-H318-H227-H315
Precautionary statements: P280-P305+P351+P338-P310-P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362