tert-butyl N-[(hydrazinecarbonyl)methyl]carbamate

HCID 2735639

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Grundinformationen

CAS: 6926-09-6
Standard-SMILES: CC(C)(C)OC(=O)NCC(=O)NN
InChIKey: MQBASTZLTYLEON-UHFFFAOYSA-N
Summenformel: C7H15N3O3
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,11134135

Namen und Bezeichner

Bevorzugter Name: tert-butyl N-[(hydrazinecarbonyl)methyl]carbamate
IUPAC: tert-butyl N-(2-hydrazinyl-2-oxoethyl)carbamate
Englischer Name: Boc-Glycine hydrazide
Summenformel: C7H15N3O3
Molmasse: 189.21

Namen und Synonyme

tert-butyl N-[(hydrazinecarbonyl)methyl]carbamatetert-butyl N-((hydrazinecarbonyl)methyl)carbamateRefChem:895161692-278-06926-09-6tert-butyl (2-hydrazinyl-2-oxoethyl)carbamateBoc-Glycine hydrazidetert-butyl 2-hydrazinyl-2-oxoethylcarbamateMFCD01570558tert-butyl N-(2-hydrazinyl-2-oxoethyl)carbamateHydrazinocarbonylmethyl-carbamic acid tert-butyl ester2-(Boc-amino)acetohydrazide

Weitere Namen anzeigen

BUTTPARK 77\04-08Boc-Glycinehydrazide8%Boc-Glycinehydrazide，98%Butoxycarbonylglycine hydrazideBoc-Glycine hydrazide USP/EP/BPtert-Butyl (2-hydrazinyl-2-oxoethyl)2-Aminoacetohydrazide, 2-BOC protectedtert-butyl (2-hydrazino-2-oxoethyl)carbamate

DTXSID40370850AKOS000649532SY081509GLYCINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, HYDRAZIDEtert-butyl(2-hydrazinyl-2-oxoethyl)carbamatetert-butyl (2-hydrazinyl-2-oxoethyl)carbamate (non-preferred name)(tert-butoxy)-N-(???methyl)carboxamideN-tert-butoxycarbonylglycylhydrazide

Datenbank-Bezeichner

CAS: 6926-09-6
PubChem CID: 2735639
DTXSID: DTXSID40370850
EC Number: 692-278-0
Nikkaji: J2.703.114E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 93,5 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 198

Physikochemische Eigenschaften

Schmelzpunkt: 111 · 111-115
Siedepunkt: 386.5 · 386.5±25.0 °C(Predicted)
Dichte: 1.139 · 1.139±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: solid
pka: 11.4 · 11.40±0.46(Predicted)
Farbe: Beige
InChI: InChI=1S/C7H15N3O3/c1-7(2,3)13-6(12)9-4-5(11)10-8/h4,8H2,1-3H3,(H,9,12)(H,10,11)
InChIKey: MQBASTZLTYLEON-UHFFFAOYSA-N
SMILES: C(NN)(=O)CNC(OC(C)(C)C)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (90.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (93.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (93.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.8%): 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 32 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (93.8%)；Skin Irrit. 2 (93.8%)；Eye Irrit. 2A (93.8%)；Acute Tox. 4 (93.8%)；STOT SE 3 (93.8%)

Sicherheitsdaten

hs_code: 2928009090
risk_code: 22
hazard_code: Xi,Xn
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

VerwendenBoc-Glycine hydrazide is used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.