| CAS Number | 262357-39-1 |
| Catalog Number | AG01AANR |
| Chemical Name | N1-[3-(1H-imidazol-1-yl)propyl]benzene-1,2-diamine |
| IUPAC Name | 2-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine |
| InChI | InChI=1S/C12H16N4/c13-11-4-1-2-5-12(11)15-6-3-8-16-9-7-14-10-16/h1-2,4-5,7,9-10,15H,3,6,8,13H2 |
| InChI Key | KJCGISCAQCJRLA-UHFFFAOYSA-N |
| MDL Number | MFCD11196009 |
| Molecular Formula | C12H16N4 |
| Molecular Weight | 216.2822 |
| SMILES | NC1=C(NCCCN2C=NC=C2)C=CC=C1 |
| Synonyms | 1-N-[3-(1H-imidazol-1-yl)propyl]benzene-1,2-diamine,
262357-39-1,
N1-[3-(1H-imidazol-1-yl)propyl]benzene-1,2-diamine,
AC1Q515V,
SCHEMBL7970502,
KJCGISCAQCJRLA-UHFFFAOYSA-N,
ZINC20506327,
AKOS009256173,
NE48741,
EN300-69113,
N-[3-(1H-imidazol-1-yl)propyl]-1,2-benzenediamine,
F1911-3669,
Z1889996026,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.288g/mol |
| Monoisotopic Mass | 216.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number