N-[(furan-2-yl)methyl]aniline

NSC97553 · RMA-4137 · N-Phenylfurfurylamine · N-(2-Furanylmethyl)aniline · 2-furylmethyl(phenyl)amine · 2-Furanmethanamine, N-phenyl- · N-(furan-2-ylmethyl) aniline analogue

https://huagongshe.com/de/chemical/57541

Molekülstruktur von N-[(furan-2-yl)methyl]aniline

Identifikatoren & physikalische Daten

CAS No.	4439-56-9
Summenformel	C11H11NO
Durchschnittliche Molmasse	173,21 g/mol
Monoisotopische Masse	173,08406397 g/mol
SMILES	c1ccc(NCc2ccco2)cc1
InChIKey	HCYZEVXWZFESIN-UHFFFAOYSA-N
PubChem CID	57541
ChEMBL	CHEMBL259701
EC No.	896-624-3
DTXSID	DTXSID70275627

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	25,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	13
Formalladung	0
Komplexität	143
Schmelzpunkt	101-103 °C
Siedepunkt	146-148 °C(Press: 10 Torr)
Dichte	1.1119 g/cm³
pKa (Säurekonstante)	3.680±0.50(predicted)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 Classes and Categories	Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)

GHS-Einstufung

DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 Classes and Categories

Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)STOT SE 3 (100%)