| CAS Number | 57728-32-2 |
| Catalog Number | AG01A7SO(AGN-PC-0NITU1) |
| Chemical Name | 3-(aminomethyl)pentan-3-ol |
| IUPAC Name | 3-(aminomethyl)pentan-3-ol |
| InChI | InChI=1S/C6H15NO/c1-3-6(8,4-2)5-7/h8H,3-5,7H2,1-2H3 |
| InChI Key | OFAPYHPFMXHSQJ-UHFFFAOYSA-N |
| MDL Number | MFCD09907227 |
| Molecular Formula | C6H15NO |
| Molecular Weight | 117.1894 |
| SMILES | CCC(CN)(CC)O |
| Synonyms | 3-(aminomethyl)pentan-3-ol,
57728-32-2,
AC1Q2SKP,
SCHEMBL8366,
CTK4J7905,
ALBB-032356,
ZINC11755849,
AKOS009469409,
MCULE-7676729679,
NE14604,
EN300-59685,
Diethylethanolamine,
53404-34-5,
|
| Complexity | 59.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.192g/mol |
| Monoisotopic Mass | 117.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number