CAS 1198284-94-4 tert-Butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate (HCID 49760149)

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Basic information

CAS: 1198284-94-4
Standard SMILES: CC(C)(C)OC(=O)N1CCC2(CCCNC2=O)CC1
InChIKey: SRXNZBIOGZNYEO-UHFFFAOYSA-N
Molecular formula: C14H24N2O3
Average molar mass: 268.35 g/mol
Monoisotopic mass: 268.17869263

Names & identifiers

Preferred name: tert-Butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
IUPAC: tert-butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
English name: 2-Boc-2,9-DIAZASPIRO[5.5]UNDECAN-1-ONE
Molecular formula: C14H24N2O3
Molecular weight: 268.35

Names & synonyms

1198284-94-4TERT-BUTYL 1-OXO-2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLATEDTXSID10678118tert-Butyl 1-oxo-2,9-diazaspiro(5.5)undecane-9-carboxylateRefChem:383112DTXCID80628867874-297-8MFCD131916649-Boc-2,9-diazaspiro[5.5]undecan-1-one9-Boc-1-oxo-2,9-diazaspiro[5.5]undecane2,9-DIAZASPIRO[5.5]UNDECANE-9-CARBOXYLIC ACID, 1-OXO-, 1,1-DIMETHYLETHYL ESTERSCHEMBL2020246

Show more names

2-Boc-2,9-DIAZASPIRO[5.5]UNDECAN-1-ONE9-Boc-1-oxo-2,9-diazaspiro[5.5]undecane - X108751-Oxo-2,9-diazaspiro[5.5]undecan-9-carboxylic acid tert-butyl ester

SRXNZBIOGZNYEO-UHFFFAOYSA-NYXB28494AKOS025146809CS-W001325SB11783AS-38378SY098042DB-335565

Database identifiers

CAS: 1198284-94-4
PubChem CID: 49760149

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 365

Physicochemical properties

Boiling point: 438 · 438.0±38.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: solid
pka: 16.27 · 16.27±0.20(Predicted)
Appearance: White to light yellow Solid
InChI: 1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-6-14(7-10-16)5-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)
InChIKey: SRXNZBIOGZNYEO-UHFFFAOYSA-N
SMILES: O=C(OC(C)(C)C)N(CC1)CCC21C(NCCC2)=O
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Storage Class: 11 · 11 - Combustible Solids

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.