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74058-75-6 | Carbamic acid, [2-(1H-imidazol-4-yl)ethyl]-, phenylmethyl ester
CAS No: 74058-75-6 Catalog No: AG005U5D MDL No:
Product Description
Catalog Number:
AG005U5D
Chemical Name:
Carbamic acid, [2-(1H-imidazol-4-yl)ethyl]-, phenylmethyl ester
CAS Number:
74058-75-6
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
benzyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
InChI:
InChI=1S/C13H15N3O2/c17-13(15-7-6-12-8-14-10-16-12)18-9-11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,14,16)(H,15,17)
InChI Key:
PZYMWDPVQFBCDD-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCc1c[nH]cn1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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