(2S)-2-azaniumyl-6-(carbamoylamino)hexanoate

Base Information

• Chemical Name: (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate
• CAS No.: 1190-49-4
• Molecular Formula: C₇H₁₅N₃O₃
• Molecular Weight: 189.214
• Hs Code.: 2924199090
• Mol file: 1190-49-4.mol

Synonyms:(2S)-2-azaniumyl-6-(carbamoylamino)hexanoate;L-homocitrulline zwitterion;CHEBI:58148

Chemical Property of (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate

Chemical Property:

• Vapor Pressure: 2.86E-07mmHg at 25°C
• Melting Point: 211-212℃ (decomposition)
• Refractive Index: 1.525
• Boiling Point: 392.954 °C at 760 mmHg
• PKA: 2.53±0.25(Predicted)
• Flash Point: 191.452 °C
• PSA: 118.44000
• Density: 1.242 g/cm³
• LogP: 1.02840
• Storage Temp.: 2-8°C
• Solubility.: Aqueous Acid (Sparingly), Water (Slightly)
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 189.11134135
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

99.5% ^*data from raw suppliers

L-Homocitrulline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCNC(=O)N)CC(C(=O)[O-])[NH3+]
• Isomeric SMILES: C(CCNC(=O)N)C[C@@H](C(=O)[O-])[NH3+]
• Uses: L-Homocitrulline is an analogue of L-Citrulline (C535700), and is an amino acid that occurs in milk products.

Technology Process of (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate

There total 3 articles about (2S)-2-azaniumyl-6-(carbamoylamino)hexanoate 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:

→ N-6-(aminocarbonyl)-L-lysine (1190-49-4,121080-96-4)

Guidance literature:

With copper (II) carbonate hydroxide; sodium hydroxide; anschliessend mit Kaliumcyanat;

DOI:10.1021/ja01629a114

Reference yield:

urea (57-13-6) → N-6-(aminocarbonyl)-L-lysine (1190-49-4,121080-96-4)

Guidance literature:

With water; at 105 ℃; Durch Zerlegung des Reaktionsprodukts mit H₂S;

Reference yield:

L-Lysine hydrochloride (657-27-2,10098-89-2,26124-78-7) + urea (57-13-6) → N-6-(aminocarbonyl)-L-lysine (1190-49-4,121080-96-4)

Guidance literature:

L-Lysine hydrochloride; With sodium hydrogencarbonate; In water; at 20 ℃;

With copper(II) choride dihydrate; In water; at 100 ℃;

urea; Further stages;

upstream raw materials:

urea

L-Lysine hydrochloride

Downstream raw materials:

pipecolinic acid

N^α-Benzyloxycarbonyl-L-homocitrullin-p-nitrophenylester

N^α-Benzyloxycarbonyl-L-homocitrullin

Refernces

• 1、 Jia, Gen-Guang,Liu, Yi,Zheng, You-Guang,Zhang, Ling,Liu, Ling,Ling, Xin,Gou, Ling-Shan,Yin, Cui,Zhuang, Xue-Mei. "A novel preparation of L-citrulline and L-homocitrulline". experimental part. p. 451 - 454. Retrieved 2012/07/17.