| CAS Number | 85054-53-1 |
| Catalog Number | AG004SIK(AGN-PC-00KXG5) |
| Chemical Name | 1-Pentanol, 4-amino-4-methyl- |
| IUPAC Name | 4-amino-4-methylpentan-1-ol |
| InChI | InChI=1S/C6H15NO/c1-6(2,7)4-3-5-8/h8H,3-5,7H2,1-2H3 |
| InChI Key | PUCFHKBOPVGLPI-UHFFFAOYSA-N |
| MDL Number | MFCD11052513 |
| Molecular Formula | C6H15NO |
| Molecular Weight | 117.1894 |
| SMILES | CC(C)(N)CCCO |
| Synonyms | 85054-53-1,
1-Pentanol, 4-amino-4-methyl-,
4-Amino-4-methylpentan-1-ol,
4-Amino-4-methyl-pentan-1-ol,
4-amino-4-methyl-1-pentanol,
SCHEMBL1409321,
CTK3C9363,
DTXSID80518370,
PUCFHKBOPVGLPI-UHFFFAOYSA-N,
ALBB-022250,
MFCD11052513,
ZINC26899082,
AKOS006307102,
A80161,
Y-6484,
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| Complexity | 61.5 |
| 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 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number