| CAS Number | 1019117-62-4 |
| Catalog Number | AG01AM7F |
| Chemical Name | (1,2,5-trimethyl-1H-pyrrol-3-yl)methanamine |
| IUPAC Name | (1,2,5-trimethylpyrrol-3-yl)methanamine |
| InChI | InChI=1S/C8H14N2/c1-6-4-8(5-9)7(2)10(6)3/h4H,5,9H2,1-3H3 |
| InChI Key | QDKVKIHUOVMMCG-UHFFFAOYSA-N |
| MDL Number | MFCD09965840 |
| Molecular Formula | C8H14N2 |
| Molecular Weight | 138.2102 |
| SMILES | CC1N(C)C(C)=C(CN)C=1 |
| Synonyms | [(1,2,5-Trimethyl-1H-pyrrol-3-yl)methyl]amine,
(1,2,5-trimethylpyrrol-3-yl)methanamine,
ZINC11920632,
AKOS005062537,
1019117-62-4,
(1,2,5-trimethyl-1H-pyrrol-3-yl)methanamine,
F2169-1280,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.214g/mol |
| Monoisotopic Mass | 138.116g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 31A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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