200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 1279818-06-2
1279818-06-2 | tert-butyl N-[(1H-imidazol-4-yl)methyl]carbamate
CAS No: 1279818-06-2 Catalog No: AG01AN1B MDL No:MFCD21284915
Product Description
Catalog Number:
AG01AN1B
Chemical Name:
tert-butyl N-[(1H-imidazol-4-yl)methyl]carbamate
CAS Number:
1279818-06-2
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD21284915
IUPAC Name:
tert-butyl N-(1H-imidazol-5-ylmethyl)carbamate
InChI:
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-5-7-4-10-6-12-7/h4,6H,5H2,1-3H3,(H,10,12)(H,11,13)
InChI Key:
LPSSRLZXGGVUQS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1nc[nH]c1
Properties
Complexity:
201
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:
2
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.