| CAS Number | 115600-36-7 |
| Catalog Number | AG01A8TU(AGN-PC-002ZKH) |
| Chemical Name | methyl[2-(naphthalen-1-yl)ethyl]amine |
| IUPAC Name | N-methyl-2-naphthalen-1-ylethanamine |
| InChI | InChI=1S/C13H15N/c1-14-10-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8,14H,9-10H2,1H3 |
| InChI Key | YGXDJFKCOBYLFG-UHFFFAOYSA-N |
| MDL Number | MFCD11105977 |
| Molecular Formula | C13H15N |
| Molecular Weight | 185.2649 |
| SMILES | CNCCC1=C2C(C=CC=C2)=CC=C1 |
| Synonyms | methyl[2-(naphthalen-1-yl)ethyl]amine,
115600-36-7,
N-Methyl-2-(naphthalen-1-yl)ethanamine,
SCHEMBL606293,
ZINC34407481,
AKOS005296665,
MCULE-8882281750,
NE14917,
EN300-62540,
AC1Q4199,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.120449g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.26g/mol |
| Monoisotopic Mass | 185.120449g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number