| CAS Number | 1818847-36-7 |
| Catalog Number | AG002363(AGN-PC-0WD8D6) |
| Chemical Name | Benzenamine, 2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undec-3-yl)- |
| IUPAC Name | 2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline |
| InChI | InChI=1S/C17H27N3O/c1-19-9-5-17(6-10-19)7-11-20(12-8-17)14-3-4-15(18)16(13-14)21-2/h3-4,13H,5-12,18H2,1-2H3 |
| InChI Key | UHRVNTWMSOLZCG-UHFFFAOYSA-N |
| MDL Number | MFCD29060161 |
| Molecular Formula | C17H27N3O |
| Molecular Weight | 289.4158 |
| SMILES | NC1=CC=C(C=C1OC)N2CCC3(CC2)CCN(CC3)C |
| Synonyms | 1818847-36-7,
2-methoxy-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-yl}aniline,
2-Methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline,
2-Methoxy-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-ylaniline,
SCHEMBL17410907,
MFCD29060161,
ZINC306145870,
AS-52559,
CS-0051891,
KS-00000557,
Benzenamine, 2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undec-3-yl)-,
N/A,
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| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.423g/mol |
| Monoisotopic Mass | 289.215g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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