Grundinformationen
- Standard-SMILES
NCCCCCCCCN- InChIKey
PWGJDPKCLMLPJW-UHFFFAOYSA-N- Summenformel
- C8H20N2
- Durchschnittliche Molmasse
- 144,26 g/mol
- Monoisotopische Masse
- 144,16264864
Überblick
1,8-diaminooctane is an alkane-alpha,-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.
Namen und Bezeichner
- Bevorzugter Name
- 1,8-Octanediamine
- IUPAC
- octane-1,8-diamine
- Lokaler Name
- Octamethylendiamin
- Englischer Name
- 1,8-Diaminooctane
- Summenformel
- C8H20N2
- Molmasse
- 144.26
Namen und Synonyme
1,8-Diaminooctaneoctane-1,8-diamine373-44-41,8-OctanediamineOctamethylenediamine1,8-Octylenediamine53A6694PIEDTXSID9073173CHEBI:73112RefChem:855909DTXCID5039309206-764-3
Weitere Namen anzeigen
OCTAMETHYLENDIAMINEXin diaMine8-Diaminooctane1,8-Oktandiamin1,8-diaMine XinFENTAMINE HP-821,8- Octylamine
1,8-OctamethylenediamineOCTANE 1,8-DIAMINEDiaminooctaneEINECS 206-764-3octamethylene diamineUNII-53A6694PIEBRN 1735426alpha,omega-diaminooctane
Datenbank-Bezeichner
- CAS
373-44-4- PubChem CID
- 24250
- DTXSID
DTXSID9073173- ChEMBL
CHEMBL29392- ChEBI
CHEBI:73112- UNII
- 53A6694PIE
- EC Number
- 206-764-3
- Nikkaji
- J38.924B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 47,2
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physical DescriptionFaint yellow crystals, hygroscopic; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- 50 · 50-52 °C(lit.)
- Siedepunkt
- 225 · 225-226 °C(lit.)
- Dichte
- 0.98 g/mL · 0.98 g/mL at 20 °C
- Dampfdruck
- 0.1 hPa · <0.1 hPa (20 °C)
- Brechungsindex
- 1.4618 · 1.4618 (estimate)
- Flammpunkt
- 329 °F · 329 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 575 g/l · 575g/l
- Aggregatzustand
- Solidified Crystalline Mass
- pka
- 11 · 11.00, 10.1(at 20℃)
- Farbe
- White to yellow
- PH
- 11.7 · 11.7 (4g/l, H2O, 20℃)
- Explosionsgrenze
- 1.1 · 1.1-6.8%(V)
- Wasserlöslichkeit
- 575 g/L · 575 g/L (20 ºC)
- BRN
- 1735426 · 1735426
- InChI
- 1S/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
- InChIKey
- PWGJDPKCLMLPJW-UHFFFAOYSA-N
- SMILES
- NCCCCCCCCN
- LogP
- 0.896 at · 0.896 at 25℃
- CAS Datenbank
- 373 · 373-44-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,8-Diaminooctane(373-44-4)
- EPA chemische Informationen
- 1 · 1,8-Octanediamine (373-44-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1,8-Octanediamine
Status: Active Update: 13-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12396
1,8-Diaminooctane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCorrosive to the skin; Can cause chemical pneumonitis; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (75%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 3-9-23
- wgk
- 3
- ridadr
- UN 3259 8/PG 3
- hs_code
- 29212900
- RTECS-Nr.
- RG8841500
- risk_code
- 34-36/37/38
- Toxizität
- LD50 orally in Rabbit: 500 mg/kg
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45-37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1BSkin Sens. 1
- Selbstentzündungstemperatur
- 280 °C DIN 51794
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to produce fungicides; [Ullmann]
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Anwendungen
Verwenden1,8-Diaminooctane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
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Ergänzende Hinweise
DefinitionChEBI: 1,8-diaminooctane is an alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups. It derives from a hydride of an octane.
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