| CAS Number | 56916-88-2 |
| Catalog Number | AG00IA5H(AGN-PC-0WR4GX) |
| Chemical Name | N-(3-Methoxybenzyl)adamantan-1-amine, HCl |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]adamantan-1-amine;hydrochloride |
| InChI | InChI=1S/C18H25NO.ClH/c1-20-17-4-2-3-13(8-17)12-19-18-9-14-5-15(10-18)7-16(6-14)11-18;/h2-4,8,14-16,19H,5-7,9-12H2,1H3;1H |
| InChI Key | VAWSMACBQLOKRO-UHFFFAOYSA-N |
| MDL Number | MFCD07108046 |
| Molecular Formula | C18H26ClNO |
| Molecular Weight | 307.8581 |
| SMILES | Cl.COC1=CC(CNC23CC4CC(C2)CC(C4)C3)=CC=C1 |
| Synonyms | N-(3-methoxybenzyl)adamantan-1-amine hydrochloride,
56916-88-2,
N-[(3-methoxyphenyl)methyl]adamantan-1-amine hydrochloride,
AC1Q3C43,
CTK7A9461,
MFCD07108046,
AKOS027439594,
MCULE-2399670249,
NE17684,
N-(3-Methoxybenzyl)adamantan-1-amine, HCl,
EN300-10248,
Z57000537,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.862g/mol |
| Monoisotopic Mass | 307.17g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number