Home Other Building Blocks 3-(4-tert-butylphenyl)-2-cyanopropanamide

3-(4-tert-butylphenyl)-2-cyanopropanamide

CAS No.:
1461706-49-9
Catalog Number:
AG01A5YO
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
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Product Description
Catalog Number:
AG01A5YO
Chemical Name:
3-(4-tert-butylphenyl)-2-cyanopropanamide
CAS Number:
1461706-49-9
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD25371640
IUPAC Name:
3-(4-tert-butylphenyl)-2-cyanopropanamide
InChI:
InChI=1S/C14H18N2O/c1-14(2,3)12-6-4-10(5-7-12)8-11(9-15)13(16)17/h4-7,11H,8H2,1-3H3,(H2,16,17)
InChI Key:
WMBDJNJOEHSCPN-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)N)Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties