| CAS Number | 1369343-83-8 |
| Catalog Number | AG01BTNA |
| Chemical Name | 4-methyl-octahydro-1H-pyrrolo[3,2-b]pyridine |
| IUPAC Name | 4-methyl-1,2,3,3a,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine |
| InChI | InChI=1S/C8H16N2/c1-10-6-2-3-7-8(10)4-5-9-7/h7-9H,2-6H2,1H3 |
| InChI Key | UVIBURNTGPPPMV-UHFFFAOYSA-N |
| MDL Number | MFCD22070944 |
| Molecular Formula | C8H16N2 |
| Molecular Weight | 140.2260 |
| SMILES | CN1C2C(NCC2)CCC1 |
| Synonyms | 4-Methyloctahydro-1H-pyrrolo[3,2-b]pyridine,
1369343-83-8,
SCHEMBL12712097,
MFCD22070944,
AKOS022718395,
SB17538,
AS-48425,
CS-0046672,
4-methyl-octahydro-1H-pyrrolo[3,2-b]pyridine,
4-methyl-octahydro-1H-pyrrolo[3,2-b]pyridine, Mixture of diastereomers,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number