N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine

Base Information

Chemical Name:N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine
CAS No.:60559-98-0
Molecular Formula:C12H17N5
Molecular Weight:231.2969
Hs Code.:2933399090
European Community (EC) Number:690-021-7
UNII:RA77IZ6B2F
DSSTox Substance ID:DTXSID60209335
Nikkaji Number:J78.475C
Wikidata:Q27163801
Pharos Ligand ID:PM91CMHUY4RJ
ChEMBL ID:CHEMBL11458
Mol file:60559-98-0.mol

Synonyms:N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine;P 1075;P-1075;P1075

Suppliers and Price of N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
P1075
10mg
$ 466.00

TRC
N-Cyano-N''-(1,1-dimethylpropyl)-N''''-3-pyridinyl-guanidine
1mg
$ 90.00

Tocris
P1075 ≥99%(HPLC)
10
$ 210.00

Tocris
P1075 ≥99%(HPLC)
50
$ 882.00

ChemScene
P-1075 >99.0%
10mg
$ 560.00

ChemScene
P-1075 >99.0%
5mg
$ 330.00

ChemScene
P-1075 >99.0%
2mg
$ 190.00

Cayman Chemical
P1075 ≥98%
5mg
$ 159.00

Cayman Chemical
P1075 ≥98%
1mg
$ 43.00

ApexBio Technology
P1075
1mg
$ 378.00

Total 10 raw suppliers

Chemical Property of N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine

Chemical Property:

Vapor Pressure:5.31E-05mmHg at 25°C
Melting Point:186-187 °C
Boiling Point:347.6°Cat760mmHg
PKA:4.74±0.11(Predicted)
Flash Point:164.1°C
PSA：73.10000
Density:1.07g/cm³
LogP:2.57268
Storage Temp.:Store at RT
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:231.14839556
Heavy Atom Count:17
Complexity:312

Purity/Quality:

98%Min ^*data from raw suppliers

P1075 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)(C)N=C(NC#N)NC1=CN=CC=C1
Uses N-Cyano-N''-(1,1-dimethylpropyl)-N''''-3-pyridinyl-guanidine is an ATP-sensitive potassium channels activator or opener (KATPCO) by causing relaxation of various isolated animal and human blood vessels.

Technology Process of N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine

There total 5 articles about N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine 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:

: 17452-27-6
pyridin-3-yl isothiocyanate

: 60559-98-0
P1075

Guidance literature:: Multi-step reaction with 3 steps

1: 37 percent / ethanol / 2 h / 20 °C

2: PPh₃, Et₃N, CCl₄ / CH₂Cl₂ / 4 h / Heating

3: N-ethyldiisopropylamine / 18 h / 35 °C

With tetrachloromethane; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In ethanol; dichloromethane;
DOI:10.1021/jm00090a025

Reference yield:

: 594-39-8
2-methyl-2-butylamine

: 60559-98-0
P1075

Guidance literature:: Multi-step reaction with 3 steps

1: 37 percent / ethanol / 2 h / 20 °C

2: PPh₃, Et₃N, CCl₄ / CH₂Cl₂ / 4 h / Heating

3: N-ethyldiisopropylamine / 18 h / 35 °C

With tetrachloromethane; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In ethanol; dichloromethane;
DOI:10.1021/jm00090a025

Reference yield:

: 60560-50-1
1-(1,1-dimethyl-propyl)-3-pyridin-3-yl-thiourea

: 60559-98-0
P1075

Guidance literature:: Multi-step reaction with 2 steps

1: PPh₃, Et₃N, CCl₄ / CH₂Cl₂ / 4 h / Heating

2: N-ethyldiisopropylamine / 18 h / 35 °C

With tetrachloromethane; triethylamine; N-ethyl-N,N-diisopropylamine; triphenylphosphine; In dichloromethane;
DOI:10.1021/jm00090a025