Ethyl 1-((tert-butoxycarbonyl)amino)cyclopropanecarboxylate

HCID 10242916

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Basic information

CAS: 107259-05-2
Standard SMILES: CCOC(=O)C1(NC(=O)OC(C)(C)C)CC1
InChIKey: VBXFYABGAOGXRS-UHFFFAOYSA-N
Molecular formula: C11H19NO4
Average molar mass: 229.27 g/mol
Monoisotopic mass: 229.13140809

Names & identifiers

Preferred name: Ethyl 1-((tert-butoxycarbonyl)amino)cyclopropanecarboxylate
IUPAC: ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
English name: SINOVA SL-03967
Molecular formula: C11H19NO4
Molecular weight: 229.27

Names & synonyms

107259-05-2Ethyl 1-((tert-butoxycarbonyl)amino)cyclopropanecarboxylateEthyl 1-(Boc-amino)cyclopropanecarboxylateMFCD11845623Ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylateethyl 1-(tert-butoxycarbonylamino)cyclopropanecarboxylateethyl 1-((tert-butoxycarbonyl)amino)cyclopropane-1-carboxylateEthyl 1-[(tert-butoxycarbonyl)amino]cyclopropane-1-carboxylateethyl 1-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylateSCHEMBL583634SCHEMBL1818100SCHEMBL1818103

Show more names

SINOVA SL-039671-N-(BOC)AMino-cyclopropane-1-carboxylic acid ethyl esterEthyl1-((tert-butoxycarbonyl)amino)cyclopropanecarboxylate CAS：107259-05-21-[[(1,1-dimethylethoxy)carbonyl]amino]Cyclopropane carboxylic acid Ethyl esterCyclopropanecarboxylic acid, 1-[[(1,1-diMethylethoxy)carbonyl]aMino]-, ethyl ester

DTXSID90437220VBXFYABGAOGXRS-UHFFFAOYSA-NAKOS016009237AC-23521DS-17241SY013326DB-059587Ethyl 1-(Boc-amino)-cyclopropanecarboxylate

Database identifiers

CAS: 107259-05-2
PubChem CID: 10242916
DTXSID: DTXSID90437220
EC Number: 600-811-5

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 289

Physicochemical properties

Melting point: 44 · 44-46 °C(Solv: pentane (109-66-0))
Boiling point: 307 · 307.0±21.0 °C(Predicted)
Density: 1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.87 · 10.87±0.20(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501