| CAS Number | 889949-70-6 |
| Catalog Number | AG0045M2(AGN-PC-0WB54H) |
| Chemical Name | (3-Phenyl-2-propyn-1-yl)propylamine |
| IUPAC Name | 3-phenyl-N-propylprop-2-yn-1-amine |
| InChI | InChI=1S/C12H15N/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,10-11H2,1H3 |
| InChI Key | YWJIRTMAFSRUID-UHFFFAOYSA-N |
| MDL Number | MFCD07405857 |
| Molecular Formula | C12H15N |
| Molecular Weight | 173.2542 |
| SMILES | CCCNCC#CC1=CC=CC=C1 |
| Synonyms | 3-phenyl-N-propylprop-2-yn-1-amine,
889949-70-6,
(3-PHENYL-2-PROPYN-1-YL)PROPYLAMINE,
AC1NG28E,
N-Propyl-3-phenylpropargylamine,
CTK5G2126,
DTXSID30405908,
ZINC7262288,
MFCD07405857,
STK513130,
AKOS000284911,
MCULE-6344720104,
AJ-57113,
Y-2957,
3-phenyl-N-propyl-prop-2-yn-1-amine,
CID4717506,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.259g/mol |
| Monoisotopic Mass | 173.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number