| CAS Number | 1179031-47-0 |
| Catalog Number | AG01A9AN(AGN-PC-0WO47X) |
| Chemical Name | N-(2-chloroprop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine |
| IUPAC Name | N-(2-chloroprop-2-enyl)-2,3-dihydro-1H-inden-1-amine |
| InChI | InChI=1S/C12H14ClN/c1-9(13)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12,14H,1,6-8H2 |
| InChI Key | VMSMHLATUDKJLI-UHFFFAOYSA-N |
| MDL Number | MFCD12762242 |
| Molecular Formula | C12H14ClN |
| Molecular Weight | 207.6993 |
| SMILES | ClC(CNC1C2=C(C=CC=C2)CC1)=C |
| Synonyms | N-(2-chloroprop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine,
1179031-47-0,
AC1Q3G2I,
SCHEMBL3415622,
AKOS008110764,
MCULE-2949400156,
NE49992,
EN300-64586,
Z1262396003,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.701g/mol |
| Monoisotopic Mass | 207.081g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number