tert-Butyl 4-(aminooxy)piperidine-1-carboxylate

HCID 24729482

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Basic information

CAS: 867034-25-1
Standard SMILES: CC(C)(C)OC(=O)N1CCC(ON)CC1
InChIKey: QMTOYSDJBBDOSV-UHFFFAOYSA-N
Molecular formula: C10H20N2O3
Average molar mass: 216.28 g/mol
Monoisotopic mass: 216.1473925

Names & identifiers

Preferred name: tert-Butyl 4-(aminooxy)piperidine-1-carboxylate
IUPAC: tert-butyl 4-aminooxypiperidine-1-carboxylate
English name: 4-Aminooxypiperidine-1-carboxylic acid tert-butyl ester
Molecular formula: C10H20N2O3
Molecular weight: 216.28

Names & synonyms

TERT-BUTYL 4-(AMINOOXY)PIPERIDINE-1-CARBOXYLATE867034-25-1DTXSID20646808RefChem:383532DTXCID30597559971-521-7tert-butyl 4-aminooxypiperidine-1-carboxylateMFCD16619122tert-Butyl4-(aminooxy)piperidine-1-carboxylateSCHEMBL16771764-(Aminooxy)-1-Boc-piperidine4-Aminooxypiperidine-1-carboxylic acid tert-butyl ester

Show more names

isopropyl 4-(aminooxy)piperidine- 1-carboxylate1-Piperidinecarboxylic acid, 4-(aminooxy)-, 1,1-dimethylethyl ester

QMTOYSDJBBDOSV-UHFFFAOYSA-NSJB03425AKOS015855114SB433431-tert-Butoxycarbonyl-4-piperidyloxyamineBS-24235DB-076716t-Butyl 4-(aminooxy)piperidine-1-carboxylate

Database identifiers

CAS: 867034-25-1
PubChem CID: 24729482
DTXSID: DTXSID20646808
EC Number: 971-521-7

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 217

Physicochemical properties

Boiling point: 316 ℃ · 316℃
Density: 1.1 · 1.10
Flash point: 145 ℃ · 145℃
storage temp.: 2 · 2-8°C
pka: 4.27 · 4.27±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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.