3-Morpholin-4-ylmethyl-benzylamine

HCID 6484182

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Grundinformationen

CAS: 91271-83-9
Standard-SMILES: NCc1cccc(CN2CCOCC2)c1
InChIKey: JCIFAZAIURDZQN-UHFFFAOYSA-N
Summenformel: C12H18N2O
Durchschnittliche Molmasse: 206,28 g/mol
Monoisotopische Masse: 206,1419132

Namen und Bezeichner

Bevorzugter Name: 3-Morpholin-4-ylmethyl-benzylamine
IUPAC: [3-(morpholin-4-ylmethyl)phenyl]methanamine
Englischer Name: 3-Morpholin-4-ylmethyl-benzylamine
Summenformel: C12H18N2O
Molmasse: 206.28

Namen und Synonyme

91271-83-93-Morpholin-4-ylmethyl-benzylamineDTXSID40424408RefChem:281235DTXCID20375242(3-(Morpholinomethyl)phenyl)methanamine[3-(morpholin-4-ylmethyl)phenyl]methanamine[3-(morpholinomethyl)phenyl]methylamineMFCD066577771-[3-(Morpholin-4-ylmethyl)phenyl]methanamine3-Morpholin-4-ylmethylbenzylamine1-{3-[(morpholin-4-yl)methyl]phenyl}methanamine

Weitere Namen anzeigen

TIMTEC-BB SBB0111563-Morpholin-4-ylmethylbenzylamine95%3-MORPHOLIN-4-YLMETHYLBENZYLAMINE 95%Benzenemethanamine, 3-(4-morpholinylmethyl)-

[3-(Morpholinomethyl)phenyl]methanamineCHEMBL4570509{3-[(morpholin-4-yl)methyl]phenyl}methanamine[3-(morpholin-4-ylmethyl)phenyl]methylamineSCHEMBL1103883-(Morpholinomethyl)benzylamineorb3030968SCHEMBL29350303

Datenbank-Bezeichner

CAS: 91271-83-9
PubChem CID: 6484182
DTXSID: DTXSID40424408
ChEMBL: CHEMBL4570509
EC Number: 987-889-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 38,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 180

Physikochemische Eigenschaften

Siedepunkt: 323.2 · 323.2±32.0 °C(Predicted)
Dichte: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 9.08 · 9.08±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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.