tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate

HCID 15087789CAS 120737-77-1

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Grundinformationen

Standard-SMILES: CC1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C
InChIKey: ZPDZNQZBTLCTDV-UHFFFAOYSA-N
Summenformel: C17H26N2O2
Durchschnittliche Molmasse: 290,4 g/mol
Monoisotopische Masse: 290,19942808

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-benzyl-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylate
Englischer Name: 1-Benzyl-4-Boc-piperazine
Summenformel: C17H26N2O2
Molmasse: 290.4

Namen und Synonyme

120737-77-1tert-butyl 4-benzyl-2-methylpiperazine-1-carboxylateDTXSID00568014RefChem:383588DTXCID705187884-BENZYL-2-METHYLPIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Piperazinecarboxylicacid, 2-methyl-4-(phenylmethyl)-, 1,1-dimethylethyl esterTERT-BUTYL-4-BENZYL-2(R)-METHYL-PIPERAZINECARBOXYLATEMFCD03265484SCHEMBL3664002ZPDZNQZBTLCTDV-UHFFFAOYSA-NAB3317

Weitere Namen anzeigen

BUTTPARK 146\06-234-BENZYL-1-BOC-PIPERAZINE1-Benzyl-4-Boc-piperazine4-Benzyl-1-Boc-2-methylpiperazine,97%4-BENZYL-1-T-BUTOXYCARBONYLPIPERAZINE4-Benzyl-1-Boc-2-Methylpiperazine, 97%TERT-BUTYL 4-BENZYL-1-PIPERAZINECARBOXYLATE4-BENZYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

AKOS005256165AB14249DA-09418CS-0324801AU-004/43508705F334060tert-butyl 4-benzyl-2-methyl-1-piperazinecarboxylatetert-butyl 4-benzyl-2-methyl-piperazine-1-carboxylate

Datenbank-Bezeichner

CAS: 120737-77-1
PubChem CID: 15087789
DTXSID: DTXSID00568014
EC Number: 692-579-7
Nikkaji: J2.686.132B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 32,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 4
Schwere Atome: 21
Formalladung: 0
Komplexität: 345

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-73 °C(lit.)
Aggregatzustand: solid
InChI: 1S/C17H26N2O2/c1-14-12-18(13-15-8-6-5-7-9-15)10-11-19(14)16(20)21-17(2,3)4/h5-9,14H,10-13H2,1-4H3
InChIKey: ZPDZNQZBTLCTDV-UHFFFAOYSA-N
SMILES: N2(CC(N(CC2)C(=O)OC(C)(C)C)C)Cc1ccccc1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.