Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol

Base Information

• Chemical Name: Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol
• CAS No.: 19970-80-0
• Molecular Formula: C11H24N2O2
• Molecular Weight: 216.324
• Hs Code.: 2933990090
• European Community (EC) Number: 243-445-8
• DSSTox Substance ID: DTXSID20941880
• Nikkaji Number: J120.388F
• Wikidata: Q72505436
• Mol file: 19970-80-0.mol

Synonyms:19970-80-0;Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol;3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;EINECS 243-445-8;N,N'-BIS-(3-HYDROXYPROPYL)-HOMOPIPERAZINE;1H-1,4-Diazepine-1,4(5H)-dipropanol, tetrahydro-;1,4-Bis(3-hydroxypropyl)hexahydro-1H-1,4-diazepine;SCHEMBL8679860;DTXSID20941880;N,N'-Bis(3-Hydroxypropyl)homopiperazine;FT-0747357;3,3'-(1,4-Diazepane-1,4-diyl)bis(propan-1-ol);3,3'-(1,4-Diazepane-1,4-diyl)di(propan-1-ol);J-511042;N,N inverted exclamation marka-Bis(3-hydroxypropyl)homo piperazine;2,2-Dimethylbutyryl inverted exclamation mark inverted exclamation markchloride

Chemical Property of Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol

Chemical Property:

• Vapor Pressure: 1.16E-06mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 360.8°Cat760mmHg
• PKA: 14.81±0.10(Predicted)
• Flash Point: 176.6°C
• PSA: 46.94000
• Density: 1.032g/cm³
• LogP: -0.36530
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 216.183778013
• Heavy Atom Count: 15
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

N,N'-Bis(3-hydroxypropyl)homopiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN(C1)CCCO)CCCO

Technology Process of Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol

There total 2 articles about Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

dilazep (35898-87-4) → tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol (19970-80-0) + Eudesmic acid (118-41-2)

Guidance literature:

With Tris-HCl buffer; human liver carboxylesterase pI 4.5; at 37 ℃; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;

DOI:10.1248/bpb.20.869

Reference yield:

→ tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol (19970-80-0)

Guidance literature:

N,N'-Bis(3-hydroxypropyl)ethylendiamin, 1-Brom-3-chlorpropan;

Reference yield:

4-nitro-benzoyl chloride (122-04-3) + tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol (19970-80-0) → N,N'-bis-[3-(4aminophenylcarbamoyloxy)propyl]homopiperazine (133668-37-8)

Guidance literature:

In chloroform; water; acetone; toluene;

upstream raw materials:

dilazep

Downstream raw materials:

N,N'-bis-[3-(4aminophenylcarbamoyloxy)propyl]homopiperazine

Refernces