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91959-38-5 | 3-(1-benzyl-1h-imidazol-2-yl)alanine
CAS No: 91959-38-5 Catalog No: AG0065QQ MDL No:
Product Description
Catalog Number:
AG0065QQ
Chemical Name:
3-(1-benzyl-1h-imidazol-2-yl)alanine
CAS Number:
91959-38-5
Molecular Formula:
C13H15N3O2
Molecular Weight:
245.2771
IUPAC Name:
2-amino-3-(1-benzylimidazol-2-yl)propanoic acid
InChI:
InChI=1S/C13H15N3O2/c14-11(13(17)18)8-12-15-6-7-16(12)9-10-4-2-1-3-5-10/h1-7,11H,8-9,14H2,(H,17,18)
InChI Key:
XOHVVNJQAZWIFX-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)Cc1nccn1Cc1ccccc1
Properties
Complexity:
279
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.282g/mol
Monoisotopic Mass:
245.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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