[4-(Morpholin-4-ylmethyl)phenyl]methanamine

HCID 2795501CAS 91271-84-0

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Grundinformationen

Standard-SMILES: NCc1ccc(CN2CCOCC2)cc1
InChIKey: OTMQHFNPBREFIL-UHFFFAOYSA-N
Summenformel: C12H18N2O
Durchschnittliche Molmasse: 206,28 g/mol
Monoisotopische Masse: 206,1419132

Namen und Bezeichner

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

Namen und Synonyme

[4-(morpholin-4-ylmethyl)phenyl]methanamine(4-(morpholin-4-ylmethyl)phenyl)methanamineRefChem:402270837-903-191271-84-0(4-(Morpholinomethyl)phenyl)methanamine4-morpholin-4-ylmethylbenzylamine4-(morpholinomethyl)benzylamine4-Morpholin-4-ylmethyl-benzylamine1-[4-(morpholin-4-ylmethyl)phenyl]methanamineMFCD056644104-[4-(Aminomethyl)benzyl]morpholine

Weitere Namen anzeigen

AKOS BB-8919BUTTPARK 98\57-94AKOS BBS-00002727TIMTEC-BB SBB0111514-Morpholino-4ylmethylbenzylamine4-(4-MORPHOLINYLMETHYL)BENZYLAMINE-(Morpholin-4-ylmethyl)benzylamine

1-{4-[(Morpholin-4-yl)methyl]phenyl}methanamine4-Morpholino-4ylmethylbenzyl amine4-(morpholin-4-ylmethyl)benzylamine{4-[(morpholin-4-yl)methyl]phenyl}methanamine[4-(morpholinomethyl)phenyl]methanamine[4-(morpholin-4-ylmethyl)phenyl]methylamineBenzenemethanamine,4-(4-morpholinylmethyl)-SCHEMBL113089

Datenbank-Bezeichner

CAS: 91271-84-0
PubChem CID: 2795501
DTXSID: DTXSID20383721
EC Number: 837-903-1
Nikkaji: J2.258.463D

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: 172

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-56°C
Siedepunkt: 324.7 · 324.7±32.0 °C(Predicted)
Dichte: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 9.18 · 9.18±0.10(Predicted)
CAS Datenbank: 91271 · 91271-84-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.