N-Propyl-1,3-propanediamine

Base Information

• Chemical Name: N-Propyl-1,3-propanediamine
• CAS No.: 23764-31-0
• Molecular Formula: C6H16 N2
• Molecular Weight: 116.206
• Hs Code.: 29212900
• European Community (EC) Number: 245-869-9
• NSC Number: 166318
• UNII: D00UCX3F42
• DSSTox Substance ID: DTXSID8066929
• Nikkaji Number: J242.672B
• Wikidata: Q72502989
• Mol file: 23764-31-0.mol

Synonyms:3-(n-propylamino)propylamine;3-(n-propylamino)propylamine dihydrochloride;3-PAPA

Chemical Property of N-Propyl-1,3-propanediamine

Chemical Property:

• Vapor Pressure: 1.26mmHg at 25°C
• Melting Point: -7.15°C (estimate)
• Refractive Index: n20/D 1.4451(lit.)
• Boiling Point: 173.5°Cat760mmHg
• PKA: 10.78±0.19(Predicted)
• Flash Point: 54.4°C
• PSA: 38.05000
• Density: 0.829g/cm³
• LogP: 1.42600
• Storage Temp.: Flammables area
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 116.131348519
• Heavy Atom Count: 8
• Complexity: 37.5

Purity/Quality:

98%min ^*data from raw suppliers

N-Propyl-1,3-propanediamine 99% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCNCCCN
• Uses: N-Propyl-1,3-propanediamine was used in the synthesis of 1-benzotriazolylmethyl-3-propylhexahydropyrimidine.

Technology Process of N-Propyl-1,3-propanediamine

There total 3 articles about N-Propyl-1,3-propanediamine 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:

(3-isopropylamino)propanenitrile (7249-87-8) → N-propylpropane-1,3-diamine (23764-31-0)

Guidance literature:

With ammonia; nickel; at 120 ℃; under 128714 Torr; Hydrogenation;

Reference yield:

propylamine (107-10-8,42939-71-9) + N,N-bis(trimethylsilyl)allylamine (7688-51-9) → N-propylpropane-1,3-diamine (23764-31-0)

Guidance literature:

With sodium hypochlorite; dimethylborane; Yield given. Multistep reaction; 1.) 0 deg C, 1 h, 2.) 0 deg C;

Reference yield:

azetidine (503-29-7) + propylamine (107-10-8,42939-71-9) → N-propylpropane-1,3-diamine (23764-31-0)

Guidance literature:

With perchloric acid; at 25 ℃; Rate constant; Thermodynamic data; E(a), ΔS(excit.);

upstream raw materials:

(3-isopropylamino)propanenitrile

azetidine

propylamine

N,N-bis(trimethylsilyl)allylamine

Downstream raw materials:

N-[3-(n-propylamino)propyl]-N'-2,6-dimethylphenylurea, 4-methylphenylsulfonate

(S)-4-((S)-14-(((benzyloxy)carbonyl)amino)-2,2-dimethyl-4,10,13-trioxo-5-propyl-3,12-dioxa-5,9-diazapentadecan-15-yl) 1-(2-((3-((tert-butoxycarbonyl)(propyl)amino)propyl)amino)-2-oxoethyl) 2-(((benzyloxy)carbonyl)amino)succinate

C₁₆H₂₅N₃O₃

tert-butyl N-[3-(propylamino)propyl]carbamate

Refernces

• 1、 Kabalka, George W.,Wang, Zhe. "Hydroboration/Amination of N-Trimethylsilyl Protected Olefinic Amines and Diolefins: Synthesis of Isomerically Pure Diamines". . p. 2113 - 2118. Retrieved 2007/10/02.