tert-Butyl 1,4-diazocane-1-carboxylate

• Catalog Number: ACM112275500
• Product Name: tert-Butyl 1,4-diazocane-1-carboxylate
• CAS: 112275-50-0
• Category: Organic Phosphine Compounds
• Synonyms: 1-BOC-hexahydro-1,4-diazepine; 1-Boc-homopiperazine; tert-butyl 1,4-diazepane-1-carboxylate; tert-Butyl homopiperazine-1-carboxylate; tert-Butyl 1,4-diazepane-1-carboxylate
• IUPAC Name: tert-butyl1,4-diazepane-1-carboxylate
• Molecular Weight: 200.28
• Molecular Formula: C₁₀H₂₀N₂O₂
• Canonical SMILES: CC(C)(C)OC(=O)N1CCCNCC1
• InChI Key: WDPWEXWMQDRXAL-UHFFFAOYSA-N
• Boiling Point: 92-96ºC (0.5 mmHg)
• Flash Point: 110ºC
• Density: 1.029
• Exact Mass: 200.15200
• Hazard Statements: Xi:Irritant
• Safety Description: S26-S36
• WGK Germany: 3

Custom Q&A

What is the molecular formula of tert-Butyl 1,4-diazocane-1-carboxylate?

The molecular formula is C10H20N2O2.

What is the molecular weight of tert-Butyl 1,4-diazocane-1-carboxylate?

The molecular weight is 200.28 g/mol.

What is the IUPAC name of tert-Butyl 1,4-diazocane-1-carboxylate?

The IUPAC name is tert-butyl 1,4-diazepane-1-carboxylate.

What is the InChI of tert-Butyl 1,4-diazocane-1-carboxylate?

The InChI is InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-4-5-11-6-8-12/h11H,4-8H2,1-3H3.

What is the InChIKey of tert-Butyl 1,4-diazocane-1-carboxylate?

The InChIKey is WDPWEXWMQDRXAL-UHFFFAOYSA-N.

What is the canonical SMILES of tert-Butyl 1,4-diazocane-1-carboxylate?

The canonical SMILES is CC(C)(C)OC(=O)N1CCCNCC1.

What is the CAS number of tert-Butyl 1,4-diazocane-1-carboxylate?

The CAS number is 112275-50-0.

What is the European Community (EC) number of tert-Butyl 1,4-diazocane-1-carboxylate?

The European Community (EC) number is 628-955-4.

What is the DSSTox Substance ID of tert-Butyl 1,4-diazocane-1-carboxylate?

The DSSTox Substance ID is DTXSID30373214.

Is tert-Butyl 1,4-diazocane-1-carboxylate a canonicalized compound?

Yes, tert-Butyl 1,4-diazocane-1-carboxylate is a canonicalized compound.