| CAS Number | 1416323-22-2 |
| Catalog Number | AG001GPD(AGN-PC-0WCXCR) |
| Chemical Name | Cyclobutanone, 3-(aminomethyl)-, hydrochloride (1:1) |
| IUPAC Name | 3-(aminomethyl)cyclobutan-1-one;hydrochloride |
| InChI | InChI=1S/C5H9NO.ClH/c6-3-4-1-5(7)2-4;/h4H,1-3,6H2;1H |
| InChI Key | OPJXRSHHSHUHOP-UHFFFAOYSA-N |
| MDL Number | MFCD19707644 |
| Molecular Formula | C5H10ClNO |
| Molecular Weight | 135.5920 |
| SMILES | O=C1CC(CN)C1.[H]Cl |
| Synonyms | 3-(AMINOMETHYL)CYCLOBUTANONE HYDROCHLORIDE,
1363382-42-6,
1416323-22-2,
3-(aminomethyl)cyclobutan-1-one hydrochloride,
3-(AMINOMETHYL)CYCLOBUTANONE HCL,
MFCD19707644,
3-(Aminomethyl)cyclobutan-1-one HCl,
AKOS025289849,
PB21511,
KS-000006M6,
AK171528,
AS-34304,
OR317088,
ST1110765,
CS-0045539,
Q-2194,
Cyclobutanone, 3-(aminomethyl)-, hydrochloride (1:1),
3-(Aminomethyl)cyclobutanonehydrochloride,
|
| Complexity | 82.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.591g/mol |
| Monoisotopic Mass | 135.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number