| CAS Number | 90796-51-3 |
| Catalog Number | AG01E2QZ |
| Chemical Name | (1-Butylpyrrolidin-3-yl)methanamine |
| IUPAC Name | (1-butylpyrrolidin-3-yl)methanamine |
| InChI | InChI=1S/C9H20N2/c1-2-3-5-11-6-4-9(7-10)8-11/h9H,2-8,10H2,1H3 |
| InChI Key | ZWQDCCSMHQUNBC-UHFFFAOYSA-N |
| MDL Number | MFCD09940263 |
| Molecular Formula | C9H20N2 |
| Molecular Weight | 156.2685 |
| SMILES | CCCCN1CC(CN)CC1 |
| Synonyms | SCHEMBL856491,
ALBB-022669,
(1-butylpyrrolidin-3-yl)methanamine,
AKOS000183446,
AKOS016346977,
1-(1-butylpyrrolidin-3-yl)methanamine dihydrochloride,
90796-51-3,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.273g/mol |
| Monoisotopic Mass | 156.163g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number