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Home > Imidazoles > 1279822-69-3
1279822-69-3 | Carbamic acid, N-(1-methyl-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS No: 1279822-69-3 Catalog No: AG000XNB MDL No:MFCD20527388
Product Description
Catalog Number:
AG000XNB
Chemical Name:
Carbamic acid, N-(1-methyl-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester
CAS Number:
1279822-69-3
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD20527388
IUPAC Name:
tert-butyl N-(1-methylimidazol-2-yl)carbamate
InChI:
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-7-10-5-6-12(7)4/h5-6H,1-4H3,(H,10,11,13)
InChI Key:
ZGUAPIZEJRXDOK-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nccn1C
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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