| CAS Number | 98636-73-8 |
| Catalog Number | AG01ENS7(AGN-PC-04Z8E8) |
| Chemical Name | Nitrocaramiphen (hydrochloride) |
| IUPAC Name | 2-(diethylamino)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C18H26N2O4.ClH/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23;/h7-10H,3-6,11-14H2,1-2H3;1H |
| InChI Key | XWQWACGTGFICFO-UHFFFAOYSA-N |
| MDL Number | MFCD00673872 |
| Molecular Formula | C18H27ClN2O4 |
| Molecular Weight | 370.8710 |
| SMILES | Cl.[N+](=O)([O-])C1=CC=C(C=C1)C1(CCCC1)C(=O)OCCN(CC)CC |
| Synonyms | Nitrocaramiphen hydrochloride,
98636-73-8,
CHEMBL543382,
SR-01000597752,
MLS002154082,
SCHEMBL5302449,
CTK8G1898,
HMS1571E03,
BN0384,
AKOS024458295,
CCG-220981,
MCULE-6038639819,
SMR001233391,
B6311,
SR-01000597752-1,
SR-01000597752-3,
2-Diethylaminoethyl 1-(4-nitrophenyl)cyclopentanecarboxylate hydrochloride,
2-Diethylaminoethyl1-(4-nitrophenyl)cyclopentanecarboxylatehydrochloride,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.166g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.874g/mol |
| Monoisotopic Mass | 370.166g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number