Cycloheptylamin

Cycloheptylamine

HCID 2899CAS 5452-35-7

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Grundinformationen

Standard-SMILES: NC1CCCCCC1
InChIKey: VXVVUHQULXCUPF-UHFFFAOYSA-N
Summenformel: C7H15N
Durchschnittliche Molmasse: 113,2 g/mol
Monoisotopische Masse: 113,12044948

Namen und Bezeichner

Bevorzugter Name: Cycloheptylamine
IUPAC: cycloheptanamine
Lokaler Name: Cycloheptylamin
Englischer Name: CYCLOHEPTYLAMINE
Summenformel: C7H15N
Molmasse: 113.2

Namen und Synonyme

CycloheptylamineCycloheptanamine5452-35-794Y6LRJ7TCNSC-18962DTXSID7063899RefChem:580317DTXCID4041735226-693-1AminocycloheptaneMFCD00004153cycloheptyl amine

Weitere Namen anzeigen

cycoheptylamineAKOS BBS-000035951-CycloheptanamineTIMTEC-BB SBB004311Cycloheptylamine,99%(2-Cycloheptyl)amine

Cycloheptanamine-N-cycloheptylamine1-cycloheptylaminecycloheptanyl amineSZ1EINECS 226-693-1NSC 18962Cycloheptylamine, 99%

Datenbank-Bezeichner

CAS: 5452-35-7
PubChem CID: 2899
DTXSID: DTXSID7063899
ChEMBL: CHEMBL1171864
UNII: 94Y6LRJ7TC
EC Number: 226-693-1
Nikkaji: J217H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 53

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index987.3

Physikochemische Eigenschaften

Schmelzpunkt: -18 °C · -18°C
Siedepunkt: 54 °C/11 · 54 °C/11 mmHg (lit.)
Dichte: 0.889 g/mL · 0.889 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.472(lit.)
Flammpunkt: 108 °F · 108 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
pka: 11.04 · 11.04±0.20(Predicted)
Farbe: Clear colorless to slightly yellow
Wichte: 0.887 · 0.887
BRN: 1847543 · 1847543
InChI: InChI=1S/C7H15N/c8-7-5-3-1-2-4-6-7/h7H,1-6,8H2
InChIKey: VXVVUHQULXCUPF-UHFFFAOYSA-N
SMILES: C1(N)CCCCCC1
CAS Datenbank: 5452 · 5452-35-7(CAS DataBase Reference)
EPA chemische Informationen: Cycloheptanamine (5452-35-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (13%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (84.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；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.