Basic information
- CAS
60559-98-0- Standard SMILES
CCC(C)(C)N=C(NC#N)Nc1cccnc1- InChIKey
HKZNADVVGXKQDL-UHFFFAOYSA-N- Molecular formula
- C12H17N5
- Average molar mass
- 231.3 g/mol
- Monoisotopic mass
- 231.14839556
Overview
1-cyano-2-(2-methylbutan-2-yl)-3-(3-pyridinyl)guanidine is a member of pyridines.
Names & identifiers
- Preferred name
- N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
- IUPAC
- 1-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidine
- English name
- P1075
- Molecular formula
- C12H17N5
- Molecular weight
- 231.3
Names & synonyms
60559-98-0P1075P-1075N-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidineRA77IZ6B2FGuanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl-DTXSID60209335RefChem:829507DTXCID80131826N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidineN-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridylguanidineN-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl-guanidine
Show more names
P-1075, 10 mM in DMSO-3-pyridinyl-guanidine-(1,1-dimethylpropyl)-N’2-cyano-1-tert-pentyl-3-(3-pyridyl)guanidine2-cyano-1-tert-pentyl-3-(3-pyridyl)-guanidinn-cyano-n’-(1,1-dimethylpropyl)-n’’-3-pyridinyl-guanidin
P 1075CHEMBL11458Guanidine, N-cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinyl- [CAS]SMR0004662882-Cyano-1-tert-pentyl-3-(3-pyridyl)guanidineBRN 04807381-cyano-2-(2-methylbutan-2-yl)-3-pyridin-3-ylguanidineTocris-1355
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 186 · 186-187 °C
- Boiling point
- 347.6 · 347.6±34.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 50 mM · Soluble to 50 mM in ethanol and to 100 mM in DMSO
- form
- Powder
- pka
- 4.74 · 4.74±0.11(Predicted)
- color
- White to off-white
- FDA UNII
- 77 IZ6B2F · RA77IZ6B2F
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 300 · H300
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H300
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Applications
UsesN-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.
Suppliers24 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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