| CAS Number | 1609399-98-5 |
| Catalog Number | AG00J3LO |
| Chemical Name | 1-Naphthalenamine, 1,2,3,4-tetrahydro-N-[(2-nitrophenyl)methyl]-, hydrobromide (1:1) |
| IUPAC Name | N-[(2-nitrophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide |
| InChI | InChI=1S/C17H18N2O2.BrH/c20-19(21)17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16;/h1-4,6-7,9,11,16,18H,5,8,10,12H2;1H |
| InChI Key | KSCRCRXICOVPIH-UHFFFAOYSA-N |
| MDL Number | MFCD13186256 |
| Molecular Formula | C17H19BrN2O2 |
| Molecular Weight | 363.2490 |
| SMILES | C1CC(C2=CC=CC=C2C1)NCC3=CC=CC=C3[N+](=O)[O-].Br |
| Synonyms | N-(2-nitrobenzyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrobromide,
355383-24-3,
ZX-CM015708,
MFCD13186256,
N-(2-Nitrobenzyl)-1,2,3,4-tetrahydronaphthalen-1-amine hydrobromide,
1609399-98-5,
|
| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 362.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.255g/mol |
| Monoisotopic Mass | 362.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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