| CAS Number | 1187930-80-8 |
| Catalog Number | AG008ROX(AGN-PC-09OTIP) |
| Chemical Name | 3-(4-Nitrophenoxy)pyrrolidine hydrochloride |
| IUPAC Name | 3-(4-nitrophenoxy)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C10H12N2O3.ClH/c13-12(14)8-1-3-9(4-2-8)15-10-5-6-11-7-10;/h1-4,10-11H,5-7H2;1H |
| InChI Key | KMTLAWJEKPIRFL-UHFFFAOYSA-N |
| MDL Number | MFCD06658496 |
| Molecular Formula | C10H13ClN2O3 |
| Molecular Weight | 244.6748 |
| SMILES | [O-][N+](=O)c1ccc(cc1)OC1CNCC1.Cl |
| Synonyms | 3-(4-Nitrophenoxy)pyrrolidine hydrochloride,
1187930-80-8,
3-(4'-NITROPHENOXY)PYRROLIDINE HCL,
3-(4'-Nitrophenoxy)pyrrolidine hydrochloride,
SCHEMBL16513800,
CTK5I3301,
DTXSID80696001,
0664AD,
AB1558,
MFCD06658496,
AKOS015843822,
AX8292275,
TR-067729,
3-(4-NITRO-PHENOXY)-PYRROLIDINE HYDROCHLORIDE,
3-(4-Nitrophenoxy)pyrrolidine--hydrogen chloride (1/1),
C10H13ClN2O3,
(R)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride,
(S)-3-(4-Nitrophenoxy)pyrrolidine hydrochloride,
1286208-84-1,
1286207-30-4,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.675g/mol |
| Monoisotopic Mass | 244.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| 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-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number