CAS 1709843-87-7 5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (HCID 50986432)

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Grundinformationen

CAS: 1709843-87-7
Standard-SMILES: CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)O)c2C1
InChIKey: TXBGWGXWHAVLKK-UHFFFAOYSA-N
Summenformel: C12H17N3O4
Durchschnittliche Molmasse: 267,28 g/mol
Monoisotopische Masse: 267,12190602

Namen und Bezeichner

Bevorzugter Name: 5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
IUPAC: 5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
Englischer Name: 1,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester
Summenformel: C12H17N3O4
Molmasse: 267.28

Namen und Synonyme

518990-56-25-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid5-((tert-butoxy)carbonyl)-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-3-carboxylic acidRefChem:528805824-519-45-(tert-butoxycarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid1709843-87-7MFCD106971325-Boc-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-3-carboxylic acid1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid2,4,6,7-Tetrahydro-pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid 5-tert-butyl ester

Weitere Namen anzeigen

5-(tert-butoxycarbonyl) 4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid5-[(tert-butoxy)carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxylic acid - [B24046]5H-Pyrazolo[4,3-c]pyridine-3,5-dicarboxylic acid, 1,4,6,7-tetrahydro-, 5-(1,1-dimethylethyl) ester

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 95,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 19
Formalladung: 0
Komplexität: 380

Physikochemische Eigenschaften

storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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.