| CAS Number | 89131-10-2 |
| Catalog Number | AG003P7Z(AGN-PC-0OM1R3) |
| Chemical Name | Dabsyl-L-alanine |
| IUPAC Name | (2S)-2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]propanoic acid |
| InChI | InChI=1S/C17H20N4O4S/c1-12(17(22)23)20-26(24,25)16-10-6-14(7-11-16)19-18-13-4-8-15(9-5-13)21(2)3/h4-12,20H,1-3H3,(H,22,23)/t12-/m0/s1 |
| InChI Key | MSJGMRRFQPODJE-LBPRGKRZSA-N |
| MDL Number | MFCD00059648 |
| Molecular Formula | C17H20N4O4S |
| Molecular Weight | 376.4301 |
| SMILES | C[C@H](NS(=O)(=O)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)N(C)C)C(O)=O |
| Synonyms | Dabsyl-L-alanine,
89131-10-2,
4-Dimethylaminoazobenzene-4'-sulfonyl-L-alanine,
Dbs-Ala-OH,
DTXSID20555047,
MFCD00059648,
ZINC40442561,
ZINC255988502,
D1454,
FT-0772973,
C-44480,
N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-alanine,
(S,E)-2-(4-((4-(dimethylamino)phenyl)diazenyl)phenylsulfonamido)propanoic acid,
|
| Complexity | 586 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 376.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 376.431g/mol |
| Monoisotopic Mass | 376.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number