Basic information
- CAS
214078-92-9- Standard SMILES
CN1CCCNCCN(C)CCCNCC1- InChIKey
BNLDMZVBFXARKJ-UHFFFAOYSA-N- Molecular formula
- C12H28N4
- Average molar mass
- 228.38 g/mol
- Monoisotopic mass
- 228.2313969
Names & identifiers
- Preferred name
- 1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane
- IUPAC
- 1,8-dimethyl-1,4,8,11-tetrazacyclotetradecane
- English name
- 1 8-Dimethyl-1 4 8 11-tetraazacylco-
- Molecular formula
- C12H28N4
- Molecular weight
- 228.38
Names & synonyms
1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane214078-92-91,8-dimethyl-1,4,8,11-tetrazacyclotetradecaneTrans-N-Dimethyl-CyclamMFCD03427012SCHEMBL2772577DTXSID70405326AKOS0159135741,8-Dimethylcyclam18-DIMETHYL-14811-TETRAAZACYLCO-AS-86266G73882
Show more names
Trans-N-Dime?thyl-Cyclam1 8-Dimethyl-1 4 8 11-tetraazacylco-1,8-DIMETHYL-1,4,8,11-TETRAAZACYLCOTETRADECANE1,4,8,11-Tetraazacyclotetradecane, 1,8-dimethyl-1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane - [D94655]
F555486
Database identifiers
- CAS
214078-92-9- PubChem CID
- 4659299
- DTXSID
DTXSID70405326- EC Number
- 606-758-4
- Nikkaji
- J983.220C
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 98 · 98-99 °C (lit.)
- Density
- 0.944 g/mL · 0.944 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4940(lit.)
- Flash point
- 195 °F · 195 °F
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- White to off-white Solid
- InChI
- 1S/C12H28N4/c1-15-9-3-5-14-8-12-16(2)10-4-6-13-7-11-15/h13-14H,3-12H2,1-2H3
- InChIKey
- BNLDMZVBFXARKJ-UHFFFAOYSA-N
- SMILES
- CN1CCCNCCN(C)CCCNCC1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- ridadr
- NA 1993 / PGIII
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesReactant for:• ;Ferromagnetic coupling of copper(II) and nickel(II) complexes1• ;Preparation of cyclam bridged dinuclear platinum(II) complex as an antitumor agent2• ;Preparation of dimethylcyclam based fluoroionophore having Hg2+- and Cd2+-selective signaling behaviors3
Uses1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane may be used as a precursor for the synthesis of `trans′-difunctionalized derivatives. It may also be used in the synthesis of 4,11-bis(N-pyren-1-yl-acetamide)-1,8-dimethyl-1,4,8,11-tetraazacyclotetradecane.
General Description1,8-Dimethyl-1,4,8,11-tetraazacyclotetradecane is a heterocyclic building block.
Suppliers13 total
武汉创浩生物科技有限公司13361917963 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
西安凯新生物科技有限公司029-68881181 13619217766
台州南峰药物研究所[email protected] 18616377689 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
1 records
Compound notes
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