| CAS Number | 253337-60-9 |
| Catalog Number | AG00BF05(AGN-PC-0WBNMN) |
| Chemical Name | (aR)-a-Methyl-N-[3-(3-methylphenyl)propyl]-1-naphthalenemethanamine Hydrochloride |
| IUPAC Name | 3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine |
| InChI | InChI=1S/C22H25N/c1-17-8-5-9-19(16-17)10-7-15-23-18(2)21-14-6-12-20-11-3-4-13-22(20)21/h3-6,8-9,11-14,16,18,23H,7,10,15H2,1-2H3/t18-/m1/s1 |
| InChI Key | BREGDWXNNPCUFR-GOSISDBHSA-N |
| MDL Number | MFCD25977373 |
| Molecular Formula | C22H25N |
| Molecular Weight | 303.4406 |
| SMILES | C[C@@H](NCCCc1cccc(C)c1)c2cccc3ccccc23 |
| Synonyms | 253337-60-9,
(R)-N-(1-(naphthalen-1-yl)ethyl)-3-(m-tolyl)propan-1-amine,
BREGDWXNNPCUFR-GOSISDBHSA-N,
SCHEMBL6868490,
BCP15827,
CS-M2274,
ZINC144379635,
ACN-048004,
3-(3-methylphenyl)-N-[(1R)-1-(1-naphthyl)ethyl]propan-1-amine,
3-(3-methylphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]propan-1-amine,
3-(3-METHYLPHENYL)-N-[(1R)-1-(1-NAPHTHYL) ETHYL]PROPAN-1-AMINE,
(alphaR)-alpha-Methyl-N-[3-(3-methylphenyl)propyl]-1-naphthalenemethanamine Hydrochloride,
Cinacalcet Impurity E,
CS-O-07628,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.449g/mol |
| Monoisotopic Mass | 303.199g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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Certificate of Analysis
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