| CAS Number | 885281-21-0 |
| Catalog Number | AG00GS4G(AGN-PC-0WAHZE) |
| Chemical Name | 3-(1H-Imidazol-4-YL)-benzylamine |
| IUPAC Name | [3-(1H-imidazol-5-yl)phenyl]methanamine |
| InChI | InChI=1S/C10H11N3/c11-5-8-2-1-3-9(4-8)10-6-12-7-13-10/h1-4,6-7H,5,11H2,(H,12,13) |
| InChI Key | RVBVEEGNEOEISK-UHFFFAOYSA-N |
| MDL Number | MFCD06738849 |
| Molecular Formula | C10H11N3 |
| Molecular Weight | 173.2144 |
| SMILES | NCC1=CC(C2N=CNC=2)=CC=C1 |
| Synonyms | 885281-21-0,
3-(1H-IMIDAZOL-4-YL)-BENZYLAMINE,
3-(1H-Imidazol-4-yl)benzylamine,
(3-(1H-IMIDAZOL-4-YL)PHENYL)METHANAMINE,
[3-(1H-imidazol-4-yl)phenyl]methanamine,
SCHEMBL8245099,
DTXSID70695987,
5127AH,
CI-019,
KM2661,
MFCD06738849,
ZINC82868042,
AKOS006294123,
AB28030,
AJ-125656,
DB-077866,
1-[3-(1H-Imidazol-5-yl)phenyl]methanamine,
FT-0756228,
C10H11N3,
N/A,
|
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.219g/mol |
| Monoisotopic Mass | 173.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number