| CAS Number | 186826-17-5 |
| Catalog Number | AG00AE7S(AGN-PC-0QFZEV) |
| Chemical Name | 2-PIPERIDINOETHYL 4-AMINO-5-CHLORO-2-METHOXYBENZOATE |
| IUPAC Name | 2-piperidin-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate;hydrochloride |
| InChI | InChI=1S/C15H21ClN2O3.ClH/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18;/h9-10H,2-8,17H2,1H3;1H |
| InChI Key | HBLRTSYSGOFQCK-UHFFFAOYSA-N |
| MDL Number | MFCD12828771 |
| Molecular Formula | C15H22Cl2N2O3 |
| Molecular Weight | 349.2528 |
| SMILES | Cl.C(=O)(OCCN1CCCCC1)c1c(OC)cc(c(c1)Cl)N |
| Synonyms | ML 10302 HYDROCHLORIDE,
186826-17-5,
ML 10302 HCl,
148868-55-7,
4-Amino-5-chloro-2-methoxybenzoic Acid 2-(1-Piperidinyl)ethyl Ester Hydrochloride,
CTK8E8770,
DTXSID80719340,
AKOS024457643,
API0014021,
RT-013915,
B7413,
FT-0672431,
2-piperidin-1-ylethyl 4-amino-5-chloro-2-methoxybenzoate;hydrochloride,
2-(PIPERIDIN-1-YL)ETHYL 4-AMINO-5-CHLORO-2-METHOXYBENZOATE HYDROCHLORIDE,
2-(Piperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate--hydrogen chloride (1/1),
ML 10302 (Hydrochloride),
ML 10302,
ML10302,
ML-10302,
2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoate,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 349.252g/mol |
| Monoisotopic Mass | 348.101g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number