| CAS Number | 889941-00-8 |
| Catalog Number | AG019N9M |
| Chemical Name | 2-(4-phenylpiperazin-1-yl)propan-1-amine |
| IUPAC Name | 2-(4-phenylpiperazin-1-yl)propan-1-amine |
| InChI | InChI=1S/C13H21N3/c1-12(11-14)15-7-9-16(10-8-15)13-5-3-2-4-6-13/h2-6,12H,7-11,14H2,1H3 |
| InChI Key | RVMULKARZNWVBY-UHFFFAOYSA-N |
| MDL Number | MFCD08436260 |
| Molecular Formula | C13H21N3 |
| Molecular Weight | 219.3259 |
| SMILES | CC(N1CCN(C2=CC=CC=C2)CC1)CN |
| Synonyms | 2-(4-phenylpiperazin-1-yl)propan-1-amine,
889941-00-8,
AC1Q2B1V,
CTK7E3767,
2-(4-phenylpiperazinyl)propylamine,
SBB076620,
AKOS000159083,
AKOS016045931,
MCULE-3228691632,
NE13815,
EN300-39755,
2-(4-phenylpiperazin-1-yl)propan-1-amine, AldrichCPR,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.174g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.332g/mol |
| Monoisotopic Mass | 219.174g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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