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Home > Imidazoles > 98870-64-5
98870-64-5 | Carbamic acid, [2-(1H-imidazol-4-yl)ethyl]-, 1,1-dimethylethyl ester
CAS No: 98870-64-5 Catalog No: AG00IK6G MDL No:MFCD10697671
Product Description
Catalog Number:
AG00IK6G
Chemical Name:
Carbamic acid, [2-(1H-imidazol-4-yl)ethyl]-, 1,1-dimethylethyl ester
CAS Number:
98870-64-5
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD10697671
IUPAC Name:
tert-butyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
InChI:
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)12-5-4-8-6-11-7-13-8/h6-7H,4-5H2,1-3H3,(H,11,13)(H,12,14)
InChI Key:
AZYDWKHQWJEWGN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCc1nc[nH]c1
NSC Number:
716681
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.132g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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