| CAS Number | 1339138-20-3 |
| Catalog Number | AG009F8F(AGN-PC-0WQUJ2) |
| Chemical Name | N-Acetyl-2-methyl-1,3-propanediamine |
| IUPAC Name | N-(3-amino-2-methylpropyl)acetamide |
| InChI | InChI=1S/C6H14N2O/c1-5(3-7)4-8-6(2)9/h5H,3-4,7H2,1-2H3,(H,8,9) |
| InChI Key | KPYAYJPVNXTYPE-UHFFFAOYSA-N |
| MDL Number | MFCD08276270 |
| Molecular Formula | C6H14N2O |
| Molecular Weight | 130.1882 |
| SMILES | CC(CN)CNC(=O)C |
| Synonyms | N-Acetyl-2-methyl-1,3-propanediamine,
1339138-20-3,
N-(3-Amino-2-methylpropyl)acetamide,
ACMC-20aj69,
CTK6A8221,
1-Acetamido-3-amino-2-methylpropane,
MFCD08276270,
AKOS011961589,
DA-45920,
TC-164520,
FT-0712245,
N-(3-Amino-2-methylpropyl)acetamide, AldrichCPR,
A1904,
|
| Complexity | 93.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 130.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 130.191g/mol |
| Monoisotopic Mass | 130.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number