| CAS Number | 623155-53-3 |
| Catalog Number | AG00EFQP(AGN-PC-01WGDB) |
| Chemical Name | 4-METHYL-3-NITROBENZYLAMINE |
| IUPAC Name | (4-methyl-3-nitrophenyl)methanamine |
| InChI | InChI=1S/C8H10N2O2/c1-6-2-3-7(5-9)4-8(6)10(11)12/h2-4H,5,9H2,1H3 |
| InChI Key | SYGIBQOBTAYVCA-UHFFFAOYSA-N |
| MDL Number | MFCD03411001 |
| Molecular Formula | C8H10N2O2 |
| Molecular Weight | 166.1772 |
| SMILES | CC1=C([N+]([O-])=O)C=C(CN)C=C1 |
| Synonyms | (4-Methyl-3-nitrophenyl)methanamine,
623155-53-3,
4-METHYL-3-NITROBENZYLAMINE,
4-methyl-3-nitro-benzylamine,
SCHEMBL5464766,
CTK5B4894,
DTXSID00594136,
ZINC2524629,
MFCD03411001,
AKOS009942259,
1-(4-Methyl-3-nitrophenyl)methanamine,
DS-4560,
KS-00000O71,
AJ-37310,
ST2402431,
4CH-017146,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.18g/mol |
| Monoisotopic Mass | 166.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number