Adamantane-1-carboxamidine

Base Information

• Chemical Name: Adamantane-1-carboxamidine
• CAS No.: 173601-35-9
• Molecular Formula: C₁₁H₁₈N₂
• Molecular Weight: 178.277
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID60369408
• Nikkaji Number: J2.411.171G
• Wikidata: Q82156475
• ChEMBL ID: CHEMBL2079063
• Mol file: 173601-35-9.mol

Synonyms:Adamantane-1-carboxamidine;adamantane-1-carboximidamide;173601-35-9;adamantyl carboxamidine;1-Adamantanemethanamidine;Maybridge1_006293;SCHEMBL1238032;CHEMBL2079063;DTXSID60369408;UMSZZMYJNYFCNL-UHFFFAOYSA-N;AKOS000303086;AKOS006281635;CCG-253464;(3R,5S,7S)-ADAMANTANE-1-CARBOXIMIDAMIDE

Chemical Property of Adamantane-1-carboxamidine

Chemical Property:

• Vapor Pressure: 0.00428mmHg at 25°C
• Boiling Point: 278.4 °C at 760 mmHg
• Flash Point: 122.1 °C
• PSA: 49.87000
• LogP: 2.93880
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 178.146998583
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

Adamantane-1-carboximidamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C(=N)N

Technology Process of Adamantane-1-carboxamidine

There total 2 articles about Adamantane-1-carboxamidine 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-adamantanecarbonitrile (23074-42-2) → adamantane-1-carboximidamide (173601-35-9)

Guidance literature:

Multistep reaction; (i) HCl, (ii) NH₃;

DOI:10.1021/jm00241a015

Reference yield:

→ adamantane-1-carboximidamide (173601-35-9)

Guidance literature:

Adamantylacetonitril, HCl;

Reference yield:

adamantane-1-carboximidamide (173601-35-9) + 1-bromo-2-isothiocyanatobenzene (13037-60-0) → C18H22BrN3S

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2008.03.030

upstream raw materials:

1-adamantanecarbonitrile

Refernces