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Home > Imidazoles > 66787-73-3
66787-73-3 | tert-butyl 1-Methyl-1H-iMidazol-5-ylcarbaMate
CAS No: 66787-73-3 Catalog No: AG00FH6R MDL No:MFCD23102837
Product Description
Catalog Number:
AG00FH6R
Chemical Name:
tert-butyl 1-Methyl-1H-iMidazol-5-ylcarbaMate
CAS Number:
66787-73-3
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD23102837
IUPAC Name:
tert-butyl N-(3-methylimidazol-4-yl)carbamate
InChI:
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-7-5-10-6-12(7)4/h5-6H,1-4H3,(H,11,13)
InChI Key:
PEKVFQUSUDBNKI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cncn1C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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