| CAS Number | 1956436-48-8 |
| Catalog Number | AG00I3JR(AGN-PC-0WAMIQ) |
| Chemical Name | (4S)-6-Chloro-3,4-dihydro-2h-1-benzopyran-4-amine hydrochloride |
| IUPAC Name | (4S)-6-chloro-3,4-dihydro-2H-chromen-4-amine;hydrochloride |
| InChI | InChI=1S/C9H10ClNO.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H/t8-;/m0./s1 |
| InChI Key | ARFUFGWFRJZAHS-QRPNPIFTSA-N |
| MDL Number | MFCD24435622 |
| Molecular Formula | C9H11Cl2NO |
| Molecular Weight | 220.0957 |
| SMILES | N[C@H]1CCOC2=C1C=C(Cl)C=C2.[H]Cl |
| Synonyms | (S)-6-Chlorochroman-4-amine hydrochloride,
1956436-48-8,
(4S)-6-Chlorochromane-4-ylamine HCl,
KS-00000LD3,
MFCD24435622,
AKOS027336718,
DS-12554,
(4S)-6-CHLORO-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE HYDROCHLORIDE,
ACN-054846,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.093g/mol |
| Monoisotopic Mass | 219.022g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number