6-Aminohexan-1-ol

6-Amino-1-hexanol

HCID 19960CAS 4048-33-3

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Grundinformationen

Standard-SMILES: NCCCCCCO
InChIKey: SUTWPJHCRAITLU-UHFFFAOYSA-N
Summenformel: C6H15NO
Durchschnittliche Molmasse: 117,19 g/mol
Monoisotopische Masse: 117,1153641

Namen und Bezeichner

Bevorzugter Name: 6-Amino-1-hexanol
IUPAC: 6-aminohexan-1-ol
Lokaler Name: 6-Aminohexan-1-ol
Englischer Name: 6-Amino-1-hexanol
Summenformel: C6H15NO
Molmasse: 117.19

Namen und Synonyme

6-Amino-1-hexanol6-Aminohexan-1-ol1-Hexanol, 6-amino-6-Hydroxyhexylamine6-AMINO-HEXAN-1-OLI5BY7TMO6CEINECS 223-748-16-Hydroxy-1-hexylamine6-hexanolamineBRN 1732524UNII-I5BY7TMO6CNH2(CH2)6OH

Weitere Namen anzeigen

6-AMINOHEXANOLH-ACP-OLH-AHX-OLH-ACP(6)-OLHexanolamineNH2-(CH2)6-OH

H2NCH2(CH2)4CH2OHDTXSID90752421-amino-6-hydroxyhexaneNSC-915384-04-00-01785 (Beilstein Handbook Reference)6-HYDROXY-1-HEXANAMINE6aminohexanol1Amino6hexanol

Datenbank-Bezeichner

CAS: 4048-33-3
PubChem CID: 19960
DTXSID: DTXSID9075242
UNII: I5BY7TMO6C
EC Number: 223-748-1
Nikkaji: J80.733H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 39,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

Physical DescriptionBrown hygroscopic powder; [Acros Organics MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-58 °C (lit.)
Siedepunkt: 135 · 135-140 °C/30 mmHg (lit.)
Dichte: 0.8872 · 0.8872 (estimate)
Brechungsindex: 1.4444 · 1.4444 (estimate)
Flammpunkt: 133 °C · 133 °C
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Crystals
pka: 15.18 · 15.18±0.10(Predicted)
Farbe: Light yellow to brown
Wasserlöslichkeit: MISCIBLE
BRN: 1732524 · 1732524
Stabilität: Hygroscopic. Stable. Incompatible with strong oxidizing agents.
InChI: 1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKey: SUTWPJHCRAITLU-UHFFFAOYSA-N
SMILES: NCCCCCCO
CAS Datenbank: 4048 · 4048-33-3(CAS DataBase Reference)
NIST chemische Informationen: 2 · NH2(CH2)6OH(4048-33-3)
EPA chemische Informationen: 1 · 1-Hexanol, 6-amino- (4048-33-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information1-Hexanol, 6-amino-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses respiratory depression and dermatitis in subcutaneous lethal-dose studies of mice (LDLo = 3,000 mg/kg); [RTECS] An irritant; [Acros Organics MSDS] See 5-Aminopentan-1-ol.

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Sicherheitsdaten

F: 3-10
wgk: 3
hs_code: 29221990
RTECS-Nr.: MO8840000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
hazard_class: IRRITANT, HYGROSCOPIC
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Amino-1-hexanol is used in the synthesis of guanidino analogs of roscovitine, which is a cyclin-dependant kinase. Also used in the preparation of tocotrienols which maintain anticancer, antiprolifer ative and antimigratory activity. Behery, F