| CAS Number | 16519-75-8 |
| Catalog Number | AG01BMU4 |
| Chemical Name | 2-(AMINOMETHYL)BUTAN-1-OL |
| IUPAC Name | 2-(aminomethyl)butan-1-ol |
| InChI | InChI=1S/C5H13NO/c1-2-5(3-6)4-7/h5,7H,2-4,6H2,1H3 |
| InChI Key | DHPOUEPMENIWGX-UHFFFAOYSA-N |
| MDL Number | MFCD18294832 |
| Molecular Formula | C5H13NO |
| Molecular Weight | 103.1628 |
| SMILES | NCC(CO)CC |
| Synonyms | 2-(aminomethyl)butan-1-ol,
16519-75-8,
2-aminomethyl-1-butanol,
2-(aminomethyl)-1-butanol,
SCHEMBL2361516,
DHPOUEPMENIWGX-UHFFFAOYSA-N,
AKOS012518827,
1-butanol, 2-(aminomethyl)-,
|
| Complexity | 39.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 103.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 103.165g/mol |
| Monoisotopic Mass | 103.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number