Amino{[(naphthalen-1-yl)methyl]amino}methaniminium

Base Information

• Chemical Name: Amino{[(naphthalen-1-yl)methyl]amino}methaniminium
• CAS No.: 5696-79-7
• Molecular Formula: C12H13N3
• Molecular Weight: 199.25
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID60972416
• Mol file: 5696-79-7.mol

Synonyms:DTXSID60972416;Amino{[(naphthalen-1-yl)methyl]amino}methaniminium

Chemical Property of Amino{[(naphthalen-1-yl)methyl]amino}methaniminium

Chemical Property:

• PSA: 61.90000
• LogP: 3.01380
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 200.118772459
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

98%Min ^*data from raw suppliers

(1-NAPHTHYLMETHYL)GUANIDINE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C[NH+]=C(N)N

Technology Process of Amino{[(naphthalen-1-yl)methyl]amino}methaniminium

There total 3 articles about Amino{[(naphthalen-1-yl)methyl]amino}methaniminium 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:

1-Cyanonaphthalene (86-53-3) → (1-naphthylmethyl)guanidine (5696-79-7)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄

With lithium aluminium tetrahydride;

DOI:10.1021/jm00216a007

Reference yield:

(naphth-1-yl)methylamine (118-31-0) + 3,5-dimethyl-1-pyrazolylformaminidium nitrate (38184-47-3) → (1-naphthylmethyl)guanidine (5696-79-7)

Guidance literature:

DOI:10.1021/jm00216a007

Reference yield:

→ (1-naphthylmethyl)guanidine (5696-79-7)

Guidance literature:

Nach d. 2-Methyl-2-pseudothiuroniumsulfat-Methode u. ueberfuehrt in Hydrochlorid analog Bicking et al., J.med.Chem. 8 <1965> 638;

DOI:10.1021/jm00313a014

upstream raw materials:

(naphth-1-yl)methylamine

3,5-dimethyl-1-pyrazolylformaminidium nitrate

1-Cyanonaphthalene