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74419-84-4 | TERT-BUTYL 2-(2-CYANO-1H-IMIDAZOL-5-YL)ETHYLCARBAMATE
CAS No: 74419-84-4 Catalog No: AG008Q6N MDL No:
Product Description
Catalog Number:
AG008Q6N
Chemical Name:
TERT-BUTYL 2-(2-CYANO-1H-IMIDAZOL-5-YL)ETHYLCARBAMATE
CAS Number:
74419-84-4
Molecular Formula:
C11H16N4O2
Molecular Weight:
236.2703
IUPAC Name:
tert-butyl N-[2-(2-cyano-1H-imidazol-5-yl)ethyl]carbamate
InChI:
InChI=1S/C11H16N4O2/c1-11(2,3)17-10(16)13-5-4-8-7-14-9(6-12)15-8/h7H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChI Key:
AAIJHKWQJYXQPS-UHFFFAOYSA-N
SMILES:
N#Cc1ncc([nH]1)CCNC(=O)OC(C)(C)C
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.275g/mol
Monoisotopic Mass:
236.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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