| CAS Number | 61292-50-0 |
| Catalog Number | AG00IAU1(AGN-PC-00NB4D) |
| Chemical Name | 2-[(1H-imidazol-1-yl)methyl]aniline |
| IUPAC Name | 2-(imidazol-1-ylmethyl)aniline |
| InChI | InChI=1S/C10H11N3/c11-10-4-2-1-3-9(10)7-13-6-5-12-8-13/h1-6,8H,7,11H2 |
| InChI Key | QTGCFYAOEWCKHO-UHFFFAOYSA-N |
| MDL Number | MFCD09814189 |
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.2144 |
| SMILES | NC1=C(CN2C=NC=C2)C=CC=C1 |
| Synonyms | 2-[(1-Imidazolyl)methyl]aniline,
61292-50-0,
2-(1H-imidazol-1-ylmethyl)aniline,
Benzenamine, 2-(1H-imidazol-1-ylmethyl)-,
SCHEMBL241,
AC1Q510N,
CTK2E3249,
DTXSID40545147,
5164AJ,
ZINC19406587,
AKOS000161069,
2-[(1H-Imidazol-1-yl)methyl]aniline,
MCULE-8565676941,
NE60413,
SY028814,
EN300-55746,
MFCD09814189 (95%),
C10H11N3,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.219g/mol |
| Monoisotopic Mass | 173.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number