| CAS Number | 138021-99-5 |
| Catalog Number | AG01BS5X(AGN-PC-07PN6O) |
| Chemical Name | 1-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine |
| IUPAC Name | 1-methyl-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine |
| InChI | InChI=1S/C8H16N2/c1-10-5-3-7-6-9-4-2-8(7)10/h7-9H,2-6H2,1H3 |
| InChI Key | APQINZAHFHXIRJ-UHFFFAOYSA-N |
| MDL Number | MFCD24448219 |
| Molecular Formula | C8H16N2 |
| Molecular Weight | 140.2260 |
| SMILES | CN1C2C(CNCC2)CC1 |
| Synonyms | 138021-99-5,
1-methyloctahydro-1H-pyrrolo[3,2-c]pyridine,
1-methyl-octahydro-1H-pyrrolo[3,2-c]pyridine,
1H-Pyrrolo[3,2-c]pyridine,octahydro-1-methyl-,
SCHEMBL1992137,
APQINZAHFHXIRJ-UHFFFAOYSA-N,
SB17539,
1-Methyloctahydropyrrolo[3,2-c]pyridine,
CS-0046663,
1H-Pyrrolo[3,2-c]pyridine, octahydro-1-methyl-,
(3aR,7aS)-1-methyloctahydro-1H-pyrrolo[3,2-c]pyridine,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.23g/mol |
| Monoisotopic Mass | 140.131g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number