| CAS Number | 85469-68-7 |
| Catalog Number | AG008F1W(AGN-PC-0NDTVW) |
| Chemical Name | 4-(4-Propylpiperazin-1-yl)benzoic acid |
| IUPAC Name | 4-(4-propylpiperazin-1-yl)benzoic acid |
| InChI | InChI=1S/C14H20N2O2/c1-2-7-15-8-10-16(11-9-15)13-5-3-12(4-6-13)14(17)18/h3-6H,2,7-11H2,1H3,(H,17,18) |
| InChI Key | DDPZNQRPUIWZEF-UHFFFAOYSA-N |
| MDL Number | MFCD10033183 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | O=C(O)C1=CC=C(N2CCN(CCC)CC2)C=C1 |
| Synonyms | 4-(4-PROPYL-1-PIPERAZINYL)BENZOIC ACID,
4-(4-propylpiperazin-1-yl)benzoic Acid,
85469-68-7,
Benzoic acid, 4-(4-propyl-1-piperazinyl)-,
SCHEMBL1305865,
CTK3C8745,
DTXSID80450549,
DDPZNQRPUIWZEF-UHFFFAOYSA-N,
4-(4-Propylpiperazino)benzoic acid,
MFCD10033183,
ZINC20080090,
AKOS000260607,
DB-076351,
CS-0061506,
FT-0770244,
4-[4-(1-propyl)-piperazin-1-yl]-benzoic acid,
CID10977812,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
|
Packing Group
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\N
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Precautionary statements
|
P261-P280-P301+P312-P302+P352-P305+P351+P338
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|
UN Code
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\N
|
Certificate of Analysis
Lot Number