| CAS Number | 729610-18-8 |
| Catalog Number | AG008QU3(AGN-PC-0U1T7X) |
| Chemical Name | Calindol Hydrochloride |
| IUPAC Name | (1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride |
| InChI | InChI=1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H/t15-;/m1./s1 |
| InChI Key | KFILKQPBQZIRST-XFULWGLBSA-N |
| MDL Number | MFCD18382212 |
| Molecular Formula | C21H21ClN2 |
| Molecular Weight | 336.8578 |
| SMILES | C[C@H](C1=C(C=CC=C2)C2=CC=C1)NCC3=CC4=CC=CC=C4N3.Cl |
| Synonyms | Calindol Hydrochloride,
729610-18-8,
CHEMBL2092942,
Calindol (hydrochloride),
MLS006010782,
SCHEMBL2702603,
CTK8E6837,
DTXSID00634884,
AKOS030254568,
Calindol hydrochloride, >=98% (HPLC),
SMR004701469,
RT-011900,
FT-0664208,
(1R)-N-(1H-indol-2-ylmethyl)-1-naphthalen-1-ylethanamine;hydrochloride,
(R)-2-[[[1-(1-Naphthyl)ethyl]amino]methyl]-1H-indole Hydrochloride,
N-[(1R)-1-(1-Naphthalenyl)ethyl]-1H-indole-2-methanamine Hydrochloride,
(1R)-N-[(1H-Indol-2-yl)methyl]-1-(naphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1),
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.863g/mol |
| Monoisotopic Mass | 336.139g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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