| CAS Number | 77755-81-8 |
| Catalog Number | AG00G8F2(AGN-PC-03IILK) |
| Chemical Name | N-(2-(morpholinoethyl)-4-nitroaniline |
| IUPAC Name | N-(2-morpholin-4-ylethyl)-4-nitroaniline |
| InChI | InChI=1S/C12H17N3O3/c16-15(17)12-3-1-11(2-4-12)13-5-6-14-7-9-18-10-8-14/h1-4,13H,5-10H2 |
| InChI Key | NWUVRJDVZZNZGH-UHFFFAOYSA-N |
| MDL Number | MFCD11116216 |
| Molecular Formula | C12H17N3O3 |
| Molecular Weight | 251.2817 |
| SMILES | O=[N+](C1=CC=C(C=C1)NCCN2CCOCC2)[O-] |
| Synonyms | 77755-81-8,
N-(2-Morpholinoethyl)-4-nitroaniline,
N-(4-nitrophenyl)-4-morpholineethanamine,
SCHEMBL2378489,
SCHEMBL13872880,
NWUVRJDVZZNZGH-UHFFFAOYSA-N,
ZINC20005262,
AKOS008567225,
N-(2-(morpholinoethyl)-4-nitroaniline,
DA-41378,
N-(4-Nitrophenyl)morpholine-4-ethanamine,
FT-0767541,
(2-morpholin-4-yl-ethyl)-(4-nitro-phenyl)-amine,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.286g/mol |
| Monoisotopic Mass | 251.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number