| CAS Number | 945950-78-7 |
| Catalog Number | AG00IIDD(AGN-PC-0WAMTB) |
| Chemical Name | (1S)-5-Chloro-2,3-dihydro-1h-inden-1-amine |
| IUPAC Name | (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine |
| InChI | InChI=1S/C9H10ClN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/t9-/m0/s1 |
| InChI Key | CCNOGOGUHOMLMI-VIFPVBQESA-N |
| MDL Number | MFCD07373937 |
| Molecular Formula | C9H10ClN |
| Molecular Weight | 167.6354 |
| SMILES | N[C@H]1CCC2=C1C=CC(Cl)=C2 |
| Synonyms | (1S)-5-chloro-2,3-dihydro-1H-inden-1-amine,
945950-78-7,
(S)-5-CHLORO-2,3-DIHYDRO-1H-INDEN-1-AMINE,
AC1Q4UBV,
SCHEMBL192318,
1H-Inden-1-amine, 5-chloro-2,3-dihydro-, (1S)-,
CTK6H1994,
MFCD07373937,
ZINC19810478,
AKOS006237642,
AB38352,
AJ-75216,
DS-16648,
EN300-89314,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.636g/mol |
| Monoisotopic Mass | 167.05g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number