tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate

HCID 19081094

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 140645-53-0
Standard-SMILES: CC(C)(C)OC(=O)N1CCOC(CN)C1
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
Summenformel: C10H20N2O3
Durchschnittliche Molmasse: 216,28 g/mol
Monoisotopische Masse: 216,1473925

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
IUPAC: tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
Englischer Name: 2-Aminomethyl-4-Boc-morpholine
Summenformel: C10H20N2O3
Molmasse: 216.28

Namen und Synonyme

140645-53-0tert-butyl 2-(aminomethyl)morpholine-4-carboxylateDTXSID60597885RefChem:383167DTXCID50548644818-653-22-Aminomethyl-4-Boc-morpholine4-Boc-2-Aminomethylmorpholine4-Boc-(2-Aminomethyl)morpholine4-BOC-2-(AMINOMETHYL)MORPHOLINE4-MORPHOLINECARBOXYLIC ACID, 2-(AMINOMETHYL)-, 1,1-DIMETHYLETHYL ESTERN-Boc-2-aminomethylmorpholine

Weitere Namen anzeigen

BUTTPARK 90\06-254-N-Boc-2-aminomethylmorpholine(RS)-4-Boc-2-(aMinoMethyl)Morpholine4-Boc-2-aminomethylmorpholine, CAS 140645-53-0TERTIO-BUTYL 2-(AMINOMETHYL)MORPHOLINE-4-CARBOXYLATE

2-(Aminomethyl)morpholine, 4-BOC protectedMFCD064106332-Aminomethyl-morpholine-4-carboxylic acid tert-butyl esterSCHEMBL60605CHEMBL4590147MTMBHUYOIZWQAJ-UHFFFAOYSA-NSBB095297AKOS010592783

Datenbank-Bezeichner

CAS: 140645-53-0
PubChem CID: 19081094
DTXSID: DTXSID60597885
ChEMBL: CHEMBL4590147
EC Number: 818-653-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 64,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 225

Physikochemische Eigenschaften

Siedepunkt: 310.7 · 310.7±27.0 °C(Predicted)
Dichte: 1.078 · 1.078±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 9.37 · 9.37±0.29(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7,11H2,1-3H3
InChIKey: MTMBHUYOIZWQAJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCOC(CN)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

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