| CAS Number | 1172857-56-5 |
| Catalog Number | AG019LZ5(AGN-PC-0WOV2A) |
| Chemical Name | N1-(1,3-benzothiazol-2-yl)ethane-1,2-diamine hydrochloride |
| IUPAC Name | N'-(1,3-benzothiazol-2-yl)ethane-1,2-diamine;hydrochloride |
| InChI | InChI=1S/C9H11N3S.ClH/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9;/h1-4H,5-6,10H2,(H,11,12);1H |
| InChI Key | LWJCCEXDIUBSIJ-UHFFFAOYSA-N |
| MDL Number | MFCD09971647 |
| Molecular Formula | C9H12ClN3S |
| Molecular Weight | 229.7297 |
| SMILES | Cl.NCCNC1SC2=C(C=CC=C2)N=1 |
| Synonyms | 1172857-56-5,
N-(2-aminoethyl)-1,3-benzothiazol-2-amine hydrochloride,
N-(2-aminoethyl)-N-1,3-benzothiazol-2-ylamine hydrochloride,
N1-(1,3-benzothiazol-2-yl)ethane-1,2-diamine hydrochloride,
AC1Q3DE2,
CTK7E9020,
AKOS026744208,
MCULE-8071043280,
NE39560,
EN300-33432,
Z359419740,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.726g/mol |
| Monoisotopic Mass | 229.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number