Basic information
- CAS
10368-90-8- Standard SMILES
CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1- InChIKey
XHCNINMOALIGKM-UHFFFAOYSA-N- Molecular formula
- C16H36N4
- Average molar mass
- 284.48 g/mol
- Monoisotopic mass
- 284.29399715
Overview
5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane is a secondary amino compound.
Names & identifiers
- Preferred name
- 5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetrazacyclotetradecane
- IUPAC
- 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
- English name
- 2,2,4,9,9,11-Hexamethyltetraaza-14-crown-4 hydrate
- Molecular formula
- C16H36N4
- Molecular weight
- 284.48
Names & synonyms
54622-44-55,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecaneNSC175445cis-(5,12)-7,7,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecaneMLS-0036195.0001CBMicro_011386MLS000105515cid_143337SCHEMBL1702315CHEMBL1362009BDBM51397
Show more names
2,2,4,9,9,11-Hexamethyltetraaza-14-crown-4 hydrate
DTXSID70969892CHEBI:107967XHCNINMOALIGKM-UHFFFAOYSA-NDTXSID701150714HMS2401L075,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecaneSMSF00039581,4,8,11-Tetraazacyclotetradecane, 5,5,7,12,12,14-hexamethyl-
Database identifiers
- CAS
10368-90-8、54622-44-5、56144-66-2- PubChem CID
- 143337
- DTXSID
DTXSID70969892- ChEMBL
CHEMBL1362009- ChEBI
CHEBI:107967
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 381.5 · 381.5±10.0 °C(Predicted)
- Density
- 0.814 · 0.814±0.06 g/cm3(Predicted)
- pka
- 10.75 · 10.75±0.70(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
PARISH—
Additional notes
DefinitionChEBI: 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane is a secondary amino compound.
Related reactions
1 records
Compound notes
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