| CAS Number | 63352-94-3 |
| Catalog Number | AG00IZQD(AGN-PC-0T81U1) |
| Chemical Name | 3-(Dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride |
| IUPAC Name | 3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one;hydrochloride |
| InChI | InChI=1S/C11H14N2O3.ClH/c1-12(2)7-6-11(14)9-4-3-5-10(8-9)13(15)16;/h3-5,8H,6-7H2,1-2H3;1H |
| InChI Key | ZFRBPOZPCGDGOU-UHFFFAOYSA-N |
| MDL Number | MFCD01219754 |
| Molecular Formula | C11H15ClN2O3 |
| Molecular Weight | 258.7014 |
| NSC Number | 130794 |
| SMILES | Cl.O=[N+]([O-])C1(=CC(C(=O)CCN(C)C)=CC=C1) |
| Synonyms | 3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one hydrochloride,
63352-94-3,
CHEMBL537483,
AC1L9ZKZ,
Cambridge id 5925411,
beta-Dimethylamino-m-nitropropiophenone, hydrochloride,
NSC130794,
AKOS025405098,
JS-3030,
NSC-130794,
KS-0000276Z,
BIM-0037639.P001,
LS-125196,
SR-01000223496,
SR-01000223496-1,
3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one;hydrochloride,
CID458984,
3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one,
3-(dimethylamino)-1-(3-nitrophenyl)propan-1-one,hydrochloride,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.702g/mol |
| Monoisotopic Mass | 258.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number