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N-TERT-BUTYLFORMAMIDE

CAS No.:
2425-74-3
Catalog Number:
AG003TDC
Molecular Formula:
C5H11NO
Molecular Weight:
101.1469
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Product Description
Catalog Number:
AG003TDC
Chemical Name:
N-TERT-BUTYLFORMAMIDE
CAS Number:
2425-74-3
Molecular Formula:
C5H11NO
Molecular Weight:
101.1469
MDL Number:
MFCD00003277
IUPAC Name:
N-tert-butylformamide
InChI:
InChI=1S/C5H11NO/c1-5(2,3)6-4-7/h4H,1-3H3,(H,6,7)
InChI Key:
SDLAKRCBYGZJRW-UHFFFAOYSA-N
SMILES:
O=CNC(C)(C)C
EC Number:
219-369-6
UNII:
GZ0P5X0IRF
NSC Number:
7082
Properties
Complexity:
63  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.084g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
101.149g/mol
Monoisotopic Mass:
101.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Di-tert-butyl N,N'-(octa-hydro-penta-lene-2,5-di-yl)dicarbamate. Acta crystallographica. Section E, Structure reports online 20080601
Induction of cytotoxicity, apoptosis and cell cycle arrest by 1-t-butyl carbamoyl, 7-methyl-indole-3-ethyl isothiocyanate (NB7M) in nervous system cancer cells. Drug design, development and therapy 20080101
Solvation properties of N-substituted cis and trans amides are not identical: significant enthalpy and entropy changes are revealed by the use of variable temperature 1H NMR in aqueous and chloroform solutions and ab initio calculations. The journal of physical chemistry. A 20051229
Properties