N-(tert-Butoxycarbonyl)-1,5-diaminopentane

HCID 4352CAS 51644-96-3

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)NCCCCCN
InChIKey: DPLOGSUBQDREOU-UHFFFAOYSA-N
Summenformel: C10H22N2O2
Durchschnittliche Molmasse: 202,29 g/mol
Monoisotopische Masse: 202,16812794

Namen und Bezeichner

Bevorzugter Name: N-(tert-Butoxycarbonyl)-1,5-diaminopentane
IUPAC: tert-butyl N-(5-aminopentyl)carbamate
Englischer Name: N-Boc-cadaverine
Summenformel: C10H22N2O2
Molmasse: 202.29

Namen und Synonyme

51644-96-3N-(tert-Butoxycarbonyl)-1,5-diaminopentaneRefChem:828673629-297-0N-Boc-cadaverineN-Boc-1,5-diaminopentanetert-butyl (5-aminopentyl)carbamatetert-Butyl N-(5-aminopentyl)carbamateNH2-C5-NH-BocN-(5-Aminoamyl)carbamic Acid tert-Butyl Ester1-Boc-Amino-1,5-pentanediamineMFCD00210020

Weitere Namen anzeigen

TERT-BUTYL N-(5-AMINOAMYL)CARBAMATEBOC-DAPE-OHBOC-DAPE HCLPROTAC Linker 23Boc-DAPe-OH, liq.Boc-NH-(CH2)5-NH2BOC-NH(CH2)5NH2 HCL

N-Boc-1,5-pentanediamineboc-1,5-diaminopentaneCarbamic acid, (5-aminopentyl)-, 1,1-dimethylethyl esterN-1-Boc-1,5-diaminopentane HClN-(tert-Butoxycarbonyl)-1,5-pentanediamineN-(5-Aminopentyl)carbamic Acid tert-Butyl Estertert-butyl(5-aminopentyl)carbamateN-Boc cadaverine

Datenbank-Bezeichner

CAS: 51644-96-3
PubChem CID: 4352
DTXSID: DTXSID90274430
EC Number: 629-297-0
Nikkaji: J1.822.080F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 64,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 14
Formalladung: 0
Komplexität: 164

Physikochemische Eigenschaften

Siedepunkt: 309.2 · 309.2±25.0 °C(Predicted)
Dichte: 0.972 g/mL · 0.972 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.460
Flammpunkt: 109 °C · 109 °C
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
pka: 12.91 · 12.91±0.46(Predicted)
Aggregatzustand: Oil
Farbe: Yellow
BRN: 3603658 · 3603658
InChI: InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-8-6-4-5-7-11/h4-8,11H2,1-3H3,(H,12,13)
InChIKey: DPLOGSUBQDREOU-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCCCCCN
CAS Datenbank: 51644 · 51644-96-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: UN 2735 8/PG 3
hs_code: 2924190090
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: Ⅲ
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenSome of the reported applications of N-Boc-cadaverine include:Synthesis of of a supermacrocycle that self-assemble to form organic nanotubes.Preparation of water-soluble unsymmetrical sulforhodamine fluorophores from monobrominated sulfoxanthene dye.Synthesis of functionalized porphyrins as biocompatible carrier system for photodynamic therapy (PDT).