| CAS Number | 51055-31-3 |
| Catalog Number | AG01BV85(AGN-PC-0L5TXY) |
| Chemical Name | N-Propylnicotinamide |
| IUPAC Name | N-propylpyridine-3-carboxamide |
| InChI | InChI=1S/C9H12N2O/c1-2-5-11-9(12)8-4-3-6-10-7-8/h3-4,6-7H,2,5H2,1H3,(H,11,12) |
| InChI Key | YIEIQMFWAGTFCB-UHFFFAOYSA-N |
| MDL Number | MFCD00462292 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | CCCNC(C1=CN=CC=C1)=O |
| Synonyms | N-propylpyridine-3-carboxamide,
n-propylnicotinamide,
51055-31-3,
3-Pyridinecarboxamide, N-propyl-,
1-n-propyl nicotinamide,
AC1N4GQ8,
N-Propyl-3-pyridinecarboxamide,
SCHEMBL2497123,
CTK1G5620,
DTXSID10399639,
ZINC2565671,
AKOS003870991,
Z33030407,
CID4128571,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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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H315-H319-H335
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|
Packing Group
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\N
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Precautionary statements
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P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
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|
UN Code
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\N
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Certificate of Analysis
Lot Number