4-(3-Chloropropyl)morpholine

HCID 95834CAS 7357-67-7

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Grundinformationen

Standard-SMILES: ClCCCN1CCOCC1
InChIKey: PIAZYBLGBSMNLX-UHFFFAOYSA-N
Summenformel: C7H14ClNO
Durchschnittliche Molmasse: 163,64 g/mol
Monoisotopische Masse: 163,07639175

Namen und Bezeichner

Bevorzugter Name: 4-(3-Chloropropyl)morpholine
IUPAC: 4-(3-chloropropyl)morpholine
Englischer Name: 4-(3-Chloropropyl)morpholine
Summenformel: C7H14ClNO
Molmasse: 163.65

Namen und Synonyme

4-(3-Chloropropyl)morpholineN-(3-Chloropropyl)morpholineMorpholine, 4-(3-chloropropyl)-82BVM8E6TNNSC 38889NSC-38889DTXSID70223769RefChem:97141DTXCID50146260461-510-0691-245-87357-67-7

Weitere Namen anzeigen

Gefitinib iMpurity A4-(3-ChLNSC 28831)-morphoLN-(3-Chloropropyl)MIFLAB-BB F2108-0002Gefitinib IMpurity VIGefitinib Impurity 81

1-Chloro-3-morpholinopropane3-Morpholinopropyl chlorideMFCD000397144-(3-Chloro-propyl)-morpholinechloropropylmorpholine4-(3-chloropropyl)-morpholineUNII-82BVM8E6TN4-(3-chloropropyl) morpholine

Datenbank-Bezeichner

CAS: 7357-67-7
PubChem CID: 95834
DTXSID: DTXSID70223769
UNII: 82BVM8E6TN
EC Number: 461-510-0、691-245-8、943-703-6
Nikkaji: J46.692A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 12,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 83,7

Physikochemische Eigenschaften

Schmelzpunkt: NA
Siedepunkt: 115 °C/25mmHg · 115°C/25mmHg(lit.)
Dichte: 1.0409 g/cm3 · 1.0409 g/cm3
Brechungsindex: 1.472 · 1.4720-1.4760
Flammpunkt: 91 °C · 91 °C
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 7.03 · 7.03±0.10(Predicted)
Wichte: 1.08 · 1.08
Farbe: Colourless to Yellow
InChI: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
InChIKey: PQECODMSWJOUAT-UHFFFAOYSA-N
SMILES: N1(CCCCl)CCOCC1
CAS Datenbank: 7357 · 7357-67-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 05-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28401

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (50%)

Acute Tox. 4 (62.5%)

Acute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2934999090
risk_code: 36/37/38
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Beschreibung4-(3-Chloropropyl)morpholine is a hydrochloride salt of the potent inhibitor 4-(3-chloropropyl)morpholine. It has an inhibitory effect on cancer, and is used in chromatographic science to separate amines from aliphatic hydrocarbons. 4-(3-Chloropropyl)morpholine inhibits epidermal growth factor (EGF) and has been shown to have a potent inhibitory effect on EGF receptor tyrosine kinase activity. It also inhibits the proliferation of cells by inhibiting DNA synthesis. This compound causes cell death through the inhibition of protein synthesis, which may be due to its ability to inhibit nucleophilic reactions that are involved in protein synthesis. 4-(3-Chloropropyl)morpholine can also fluoresce under UV light, which makes it useful for research purposes.