CAS 1330763-95-5 Tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate (HCID 56828076)

Substructure search Find similar structures

Basic information

CAS: 1330763-95-5
Standard SMILES: CC(C)(C)OC(=O)N1CCC12CNC2
InChIKey: LKTBVNSJVPWOKC-UHFFFAOYSA-N
Molecular formula: C10H18N2O2
Average molar mass: 198.26 g/mol
Monoisotopic mass: 198.13682782

Names & identifiers

Preferred name: Tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
IUPAC: tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
English name: tert-Butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate
Molecular formula: C10H18N2O2
Molecular weight: 198.26

Names & synonyms

1330763-95-5tert-butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate1,6-Diazaspiro[3.3]heptane-1-carboxylic Acid 1,1-Dimethylethyl Ester3,6-DIAZASPIRO[3.3]HEPTANE-3-CARBOXYLIC ACID TERT-BUTYL ESTERMFCD196878273,6-Diazaspiro[3.3]heptane-3-carboxylic acidtert-butyl ester1,6-diaza-spiro[3.3]heptane-1-carboxylic acid tert-butyl esterLKTBVNSJVPWOKC-UHFFFAOYSA-N1-N-Boc-1,6-diazaspiro[3.3]heptanetert-Butyl1,6-diazaspiro[3.3]heptane-1-carboxylateSCHEMBL14892187DTXSID80718595

Show more names

1-Boc-1,6-diazaspiro[3.3]heptane oxalatetert-Butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate hemioxalate3,6-Diazaspiro[3.3]heptane-3-carboxylic acid, 1,1-diMethylethyl ester

1-Boc-1,6-diazaspiro[3.3]heptane1-Boc-1,6-diazaspiro[3.3]...AKOS016008720SY312006CS-0047661EN300-95828P126531,6-Diazaspiro[3.3]heptane-1-carboxylic acid, 1,1-dimethylethyl ester

Database identifiers

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 253

Physicochemical properties

storage temp.: 2 · 2-8°C(protect from light)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Descriptiontert-Butyl 1,6-diazaspiro[3.3]heptane-1-carboxylate is a diazaspiro compound used as a raw material in organic synthesis or as a pharmaceutical intermediate.

Uses1,6-Diazaspiro[3.3]heptane-1-carboxylic Acid 1,1-Dimethylethyl Ester is used to prepare azetidine compounds as soluble epoxide hydrolase inhibitors.