3-Butoxypropylamin

1-Propanamine, 3-butoxy-

HCID 85461

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Grundinformationen

CAS: 16499-88-0
Standard-SMILES: CCCCOCCCN
InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-N
Summenformel: C7H17NO
Durchschnittliche Molmasse: 131,22 g/mol
Monoisotopische Masse: 131,13101416

Namen und Bezeichner

Bevorzugter Name: 1-Propanamine, 3-butoxy-
IUPAC: 3-butoxypropan-1-amine
Lokaler Name: 3-Butoxypropylamin
Englischer Name: 3-Butoxypropanamine
Summenformel: C7H17NO
Molmasse: 131.22

Namen und Synonyme

3-Butoxypropylamine16499-88-03-Butoxypropanamine1-Propanamine, 3-butoxy-3-Butoxy-1-propylamineEINECS 240-566-8DTXSID6066070RefChem:435905DTXCID7035301240-566-83-butoxypropan-1-aminebutoxypropylamine

Weitere Namen anzeigen

3BOPABP-NH2FENTAMINE OPA-4RARECHEM AL BW 04993-butoxy-1-propanamin3-N-BUTOXYPROPYLAMINE3-Butoxy-1-propanamine

MFCD000256223-n-Butoxy-1-propylamine3-Aminopropyl Butyl Ether3-butoxy propylamine3-butyloxypropyl amine3-(n-butoxy)propylamine3-Butoxy-1-propanamine #3-Butoxypropylamine, 99%

Datenbank-Bezeichner

CAS: 16499-88-0
PubChem CID: 85461
DTXSID: DTXSID6066070
EC Number: 240-566-8
Nikkaji: J116.186E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 35,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 6
Schwere Atome: 9
Formalladung: 0
Komplexität: 48,2

Physikochemische Eigenschaften

Schmelzpunkt: -65 °C · -65 °C
Siedepunkt: 169 · 169-170 °C/756 mmHg (lit.)
Dichte: 0.853 g/mL · 0.853 g/mL at 25 °C (lit.)
Dampfdruck: 1.29 hPa · 1.29hPa at 20℃
Brechungsindex: 20 · n20/D 1.426(lit.)
Flammpunkt: 146 °F · 146 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 9.77 · 9.77±0.10(Predicted)
Farbe: Colorless to Light yellow
Wasserlöslichkeit: miscible
InChI: 1S/C7H17NO/c1-2-3-6-9-7-4-5-8/h2-8H2,1H3
InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-N
SMILES: CCCCOCCCN
LogP: 1.05 at · 1.05 at 20℃
CAS Datenbank: 16499 · 16499-88-0(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Butoxypropylamine(16499-88-0)
EPA chemische Informationen: 1 · 1-Propanamine, 3-butoxy- (16499-88-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 33.9% (37 of 109) of reports.

Danger

H301 (21.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

1-Propanamine, 3-butoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-butoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26854

Hazard Classes and CategoriesAcute Tox. 3 (21.1%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29221990
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

General Manufacturing Information1-Propanamine, 3-butoxy-: ACTIVE

Anwendungen

Verwenden3-Butoxypropylamine may be used in the synthesis of N-functionalized bis(phosphino)amine ligands with ether, thioether and pyridyl tethers.