| CAS Number | 1177271-09-8 |
| Catalog Number | AG01ANA5 |
| Chemical Name | (1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methanamine |
| IUPAC Name | (1-benzyl-2,5-dimethylpyrrol-3-yl)methanamine |
| InChI | InChI=1S/C14H18N2/c1-11-8-14(9-15)12(2)16(11)10-13-6-4-3-5-7-13/h3-8H,9-10,15H2,1-2H3 |
| InChI Key | GBLVMFFJGRFAAB-UHFFFAOYSA-N |
| MDL Number | MFCD16653335 |
| Molecular Formula | C14H18N2 |
| Molecular Weight | 214.3061 |
| SMILES | CC1N(CC2=CC=CC=C2)C(C)=C(CN)C=1 |
| Synonyms | 1177271-09-8,
(1-benzyl-2,5-dimethylpyrrol-3-yl)methanamine,
ZINC34936127,
AKOS015957512,
1-Benzyl-2,5-dimethyl-1H-pyrrole-3-methanamine,
(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methanamine,
[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methyl]amine,
F2167-0105,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.312g/mol |
| Monoisotopic Mass | 214.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number