| CAS Number | 84249-39-8 |
| Catalog Number | AG003CDC(AGN-PC-0OJ1QO) |
| Chemical Name | (S)-5-Nitro-N-(1-phenylethyl)pyridin-2-amine |
| IUPAC Name | 5-nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine |
| InChI | InChI=1S/C13H13N3O2/c1-10(11-5-3-2-4-6-11)15-13-8-7-12(9-14-13)16(17)18/h2-10H,1H3,(H,14,15)/t10-/m0/s1 |
| InChI Key | RAKMWGKBCDCUDX-JTQLQIEISA-N |
| MDL Number | MFCD21092079 |
| Molecular Formula | C13H13N3O2 |
| Molecular Weight | 243.2612 |
| SMILES | C[C@H](NC1=NC=C([N+]([O-])=O)C=C1)C2=CC=CC=C2 |
| Synonyms | 84249-39-8,
(S)-(-)-2-(alpha-Methylbenzylamino)-5-nitropyridine,
(S)-5-Nitro-N-(1-phenylethyl)pyridin-2-amine,
5-Nitro-N-[(1S)-1-phenylethyl]pyridin-2-amine,
SCHEMBL15022761,
CTK8B2392,
DTXSID50651980,
KS-000016UQ,
ANW-37758,
MFCD00145247,
ZINC21794638,
AKOS015840308,
CS-W012752,
TR-026071,
M0985,
N-[(S)-1-Phenylethyl]-5-nitro-2-pyridinamine,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.266g/mol |
| Monoisotopic Mass | 243.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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UN Code
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Certificate of Analysis
Lot Number