Grundinformationen
- Standard-SMILES
CCCC(N)CCC- InChIKey
CLJMMQGDJNYDER-UHFFFAOYSA-N- Summenformel
- C7H17N
- Durchschnittliche Molmasse
- 115,22 g/mol
- Monoisotopische Masse
- 115,13609954
Namen und Bezeichner
- Bevorzugter Name
- 4-Heptanamine
- IUPAC
- heptan-4-amine
- Englischer Name
- 4-Heptylamine
- Summenformel
- C7H17N
- Molmasse
- 115.22
Namen und Synonyme
4-Heptylamine4-Heptanamine16751-59-0EINECS 240-814-5BRN 16971574-04-00-00745 (Beilstein Handbook Reference)DTXSID5066116RefChem:99077DTXCID4035380CLJMMQGDJNYDER-UHFFFAOYSA-Nheptan-4-amine4-Aminoheptane
Weitere Namen anzeigen
4-Heptylamine>1-propyl-butylamin4-Aminoheptane 97%heptan-4-ylazanium chloride
1-Propylbutylamine1-PropylbutanamineButylamine, 1-propyl-MFCD00014814(1-propylbutyl)amineheptan-4-amine hydrochlorideSCHEMBL284709hept-4-ylamine
Datenbank-Bezeichner
- CAS
16751-59-0- PubChem CID
- 38665
- DTXSID
DTXSID5066116- UNII
- 7BR4UPN25Q
- EC Number
- 240-814-5
- Nikkaji
- J208.599B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 37,7
Physikochemische Eigenschaften
- Schmelzpunkt
- -19 °C · -19°C (estimate)
- Siedepunkt
- 140 °C · 140°C
- Dichte
- 0 · 0,77 g/cm3
- Brechungsindex
- 1.417 to · 1.4170 to 1.4190
- pka
- 11.04 · 11.04±0.35(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wichte
- 0.77 · 0.77
- InChI
- InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
- InChIKey
- CLJMMQGDJNYDER-UHFFFAOYSA-N
- SMILES
- CCCC(N)CCC
- CAS Datenbank
- 16751 · 16751-59-0(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4-Heptanamine (16751-59-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Danger
H225 (11.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 18-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32963
Hazard Classes and CategoriesFlam. Liq. 2 (11.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2733
- hs_code
- 2921199990
- RTECS-Nr.
- EO6025000
- risk_code
- 10-34-43-22
- hazard_code
- Xn
- safety_code
- 16-26-37/39-53
- hazard_class
- 3/8
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information4-Heptanamine: ACTIVE
Anwendungen
Verwenden4-Aminoheptane is used in organic syntheses.
Anbieter50 Anbieter
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