2-Butoxyaniline

HCID 138265CAS 4469-81-2

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Grundinformationen

Standard-SMILES: CCCCOc1ccccc1N
InChIKey: IRTONKUCLPTRNS-UHFFFAOYSA-N
Summenformel: C10H15NO
Durchschnittliche Molmasse: 165,23 g/mol
Monoisotopische Masse: 165,1153641

Namen und Bezeichner

Bevorzugter Name: 2-Butoxyaniline
IUPAC: 2-butoxyaniline
Englischer Name: 2-Butoxyaniline
Summenformel: C10H15NO
Molmasse: 165.23

Namen und Synonyme

2-butoxyanilineRefChem:468078806-255-14469-81-22-Butoxy-phenylamineAniline, o-butoxy-2-butoxyphenylamineMFCD00043880o-butoxyaniline2-n-Butoxyaniline2-butoxybenzenamineNSC55075

Weitere Namen anzeigen

NSC 55075AKOS BBB/406AKOS BC-2531Benzenamine, 2-butoxy-

Aniline, o-butoxy-,(2-butoxy-phenyl)-amine2-Butoxyaniline, AldrichCPRMLS000525319SCHEMBL112708SCHEMBL299605CHEMBL1741956DTXSID20196277

Datenbank-Bezeichner

CAS: 4469-81-2
PubChem CID: 138265
DTXSID: DTXSID20196277
ChEMBL: CHEMBL1741956
EC Number: 806-255-1
Nikkaji: J580.395K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 12
Formalladung: 0
Komplexität: 116

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Siedepunkt: 129 °C · 129 °C(Press: 11 Torr)
Dichte: 0.999 · 0.999±0.06 g/cm3(Predicted)
Aggregatzustand: solid
pka: 4.49 · 4.49±0.10(Predicted)
InChI: 1S/C10H15NO/c1-2-3-8-12-10-7-5-4-6-9(10)11/h4-7H,2-3,8,11H2,1H3
InChIKey: IRTONKUCLPTRNS-UHFFFAOYSA-N
SMILES: CCCCOc1ccccc1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (97.4%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2922290090
risk_code: 20/21/22-36/37/38-50/53
hazard_code: Xi,N,Xn
safety_code: 26-36/37-61
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3