Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate

Base Information

• Chemical Name: Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate
• CAS No.: 73681-13-7
• Molecular Formula: C13H17 N5 O . H2 O
• Molecular Weight: 277.326
• DSSTox Substance ID: DTXSID20223951
• ChEMBL ID: CHEMBL3278387
• Mol file: 73681-13-7.mol

Synonyms:73681-13-7;Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate;N-tert-Butyl-N-(1-cyano-2-(3-pyridyl)amidino)acetamide hydrate;CHEMBL3278387;DTXSID20223951;ACETAMIDE,N-TERT-BUTYL-N-(1-CYANO-2-(PYRIDIN-3-YL)AMIDINO)-,HYDRATE;C13-H17-N5-O.H2-O;LS-8405;Acetamide, N-[(cyanoamino)(3-pyridinylimino)methyl]-N-(1,1-dimethylethyl)-, monohydrate

Chemical Property of Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate

Chemical Property:

• Vapor Pressure: 6.39E-06mmHg at 25°C
• Boiling Point: 378.2°C at 760 mmHg
• Flash Point: 182.5°C
• PSA: 90.61000
• LogP: 1.98628
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 277.15387487
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

N-TERT-BUTYL-N-(1-CYANO-2-(3-PYRIDYL)AMIDINO)-ACETAMIDE HYDRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C(=NC1=CN=CC=C1)NC#N)C(C)(C)C.O