Grundinformationen
- Standard-SMILES
CCCCCCCN- InChIKey
WJYIASZWHGOTOU-UHFFFAOYSA-N- Summenformel
- C7H17N
- Durchschnittliche Molmasse
- 115,22 g/mol
- Monoisotopische Masse
- 115,13609955
Namen und Bezeichner
- Bevorzugter Name
- 1-Heptanamine
- IUPAC
- heptan-1-amine
- Lokaler Name
- Heptylamin
- Englischer Name
- 1-Aminoheptane
- Summenformel
- C7H17N
- Molmasse
- 115.22
Namen und Synonyme
Heptylamine1-AminoheptaneN-HEPTYLAMINE1-HeptanamineDTXSID7020681NSC 2074EINECS 203-895-8BRN 1731688AI3-24038DTXCID506814-04-00-00734 (Beilstein Handbook Reference)RefChem:432909
Weitere Namen anzeigen
AMINE C7Heptylaminn-HeptylaminCH3(CH2)6NH2AminoheptaneN-HEPYLAMINE1-Aminoheptan
203-895-8111-68-2heptan-1-amine1-Heptylamineheptyl-amineMFCD00008244NSC-2074Heptanamine
Datenbank-Bezeichner
- CAS
111-68-2- PubChem CID
- 8127
- DTXSID
DTXSID7020681- ChEMBL
CHEMBL3561940- ChEBI
CHEBI:182628- UNII
- B4GL3L6JSL
- EC Number
- 203-895-8
- Nikkaji
- J45.690J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 35
Experimentelle und physikochemische Eigenschaften
Ionization Efficiency
Positive
3.51
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Kovats Retention Index
930；937；941；928；943.2；939；930；931；931；942；932；933；934；935
918；930；931；932；932；932；932；932；933；933；933；933；934；934；935；931；932；933；933；934
1218；1215；1215；1217；1219；1220；1223；1213
Physikochemische Eigenschaften
- Schmelzpunkt
- -23 °C · -23 °C
- Siedepunkt
- 154 · 154-156 °C(lit.)
- Dichte
- 0.777 g/mL · 0.777 g/mL at 25 °C(lit.)
- Dampfdruck
- 4.3 · 4.3-8hPa at 20-30℃
- Brechungsindex
- 20 · n20/D 1.424(lit.)
- Flammpunkt
- 95 °F · 95 °F
- storage temp.
- Flammables area
- pka
- 10.67 · 10.67(at 25℃)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- Wasserlöslichkeit
- 6791 mg/L · Soluble in water 6791 mg/L @ 25°C.
- BRN
- 1731688 · 1731688
- Henry's Law Constant
- 2.8 · 2.8×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
- InChI
- 1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
- InChIKey
- WJYIASZWHGOTOU-UHFFFAOYSA-N
- SMILES
- CCCCCCCN
- LogP
- 2.57 · 2.57
- CAS Datenbank
- 111 · 111-68-2(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Heptanamine (111-68-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Heptanamine
Status: Cease Manufacture Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21376
1-Heptanamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Corr. 1A (100%)
Regulatorische Informationen
Regulatory Information
Chemical: 1-Heptanamine
Status: Cease Manufacture Update: 08-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21376
1-Heptanamine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 34
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29211999
- RTECS-Nr.
- MK0600000
- risk_code
- 10-34
- Toxizität
- mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 30, Pg. 623, 1941.
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASkin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Heptanamine: ACTIVE
Anwendungen
VerwendenHeptylamine is used in organic syntheses.
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