tert-butyl N-(furan-3-yl)carbamate

HCID 12207186CAS 56267-48-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)OC(=O)Nc1ccoc1
InChIKey: SBFLPNJYWRKWFT-UHFFFAOYSA-N
Molecular formula: C9H13NO3
Average molar mass: 183.2 g/mol
Monoisotopic mass: 183.08954328

Names & identifiers

Preferred name: tert-butyl N-(furan-3-yl)carbamate
IUPAC: tert-butyl N-(furan-3-yl)carbamate
English name: Carbamic acid, 3-furanyl-, 1,1-dimethylethyl ester (9CI)
Molecular formula: C9H13NO3
Molecular weight: 183.2

Names & synonyms

tert-butyl N-(furan-3-yl)carbamateRefChem:896373878-834-7TERT-BUTYL FURAN-3-YLCARBAMATE56267-48-23-(Boc-amino)furanMFCD098390853-(BOC-AMINO)-FURANtert-butyl N-(3-furyl)carbamateTERT-BUTYL 3-FURYLCARBAMATECarbamic acid, 3-furanyl-, 1,1-dimethylethyl esterN-boc-3-furanamine

Show more names

Furan-3-tert-butylaminetert-Butyl 3-furancarbamateert-Butylfuran-3-ylcarbamate3-Aminofuran, N-BOC protectedtert-Butylfuran-3-ylcarbamate,98%

BOC-3-AMINOFURANCARBAMIC ACID, 3-FURANYL-, 1,1-DIMETHYLETHYL ESTER (9CI)Furan-3-yl-carbamic acid tert-butyl estertert-butylfuran-3-ylcarbamateSCHEMBL190015OSM-S-425DTXSID20480461SBFLPNJYWRKWFT-UHFFFAOYSA-N

Database identifiers

CAS: 56267-48-2
PubChem CID: 12207186
DTXSID: DTXSID20480461
EC Number: 878-834-7
Nikkaji: J1.804.767E

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 51.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 135 · 135-137 °C
Boiling point: 205.3 · 205.3±13.0 °C(Predicted)
Density: 1.136 · 1.136±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 13.52 · 13.52±0.70(Predicted)
Appearance: White to yellow Solid
InChI: InChI=1S/C9H13NO3/c1-9(2,3)13-8(11)10-7-4-5-12-6-7/h4-6H,1-3H3,(H,10,11)
InChIKey: SBFLPNJYWRKWFT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NC1C=COC=1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280
HS Code: 2932190090 · 2932190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.