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1250690-97-1 | 3-ethynyl-N-(1H-imidazol-2-ylmethyl)aniline
CAS No: 1250690-97-1 Catalog No: AG01AZZT MDL No:MFCD14693371
Product Description
Catalog Number:
AG01AZZT
Chemical Name:
3-ethynyl-N-(1H-imidazol-2-ylmethyl)aniline
CAS Number:
1250690-97-1
Molecular Formula:
C12H11N3
Molecular Weight:
197.2358
MDL Number:
MFCD14693371
IUPAC Name:
3-ethynyl-N-(1H-imidazol-2-ylmethyl)aniline
InChI:
InChI=1S/C12H11N3/c1-2-10-4-3-5-11(8-10)15-9-12-13-6-7-14-12/h1,3-8,15H,9H2,(H,13,14)
InChI Key:
HQXMLLCKWLYBMU-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NCc1ncc[nH]1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.241g/mol
Monoisotopic Mass:
197.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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