| CAS Number | 24066-72-6 |
| Catalog Number | AG01A4LW(AGN-PC-0LPATP) |
| Chemical Name | 3-(Butylamino)propan-1-ol |
| IUPAC Name | 3-(butylamino)propan-1-ol |
| InChI | InChI=1S/C7H17NO/c1-2-3-5-8-6-4-7-9/h8-9H,2-7H2,1H3 |
| InChI Key | PQSKSJLILUQYQM-UHFFFAOYSA-N |
| MDL Number | MFCD06408486 |
| Molecular Formula | C7H17NO |
| Molecular Weight | 131.2160 |
| SMILES | CCCCNCCCO |
| Synonyms | 3-(butylamino)propan-1-ol,
24066-72-6,
1-Propanol, 3-(butylamino)-,
3-(butylamino)-1-propanol,
AC1NR4ML,
SCHEMBL133788,
CTK0J5255,
DTXSID40414041,
PQSKSJLILUQYQM-UHFFFAOYSA-N,
N-butyl,N-(3-hydroxypropyl)amine,
ZINC20188309,
AKOS002648959,
MCULE-7171357018,
NE35750,
Z102766210,
3-butylaminopropan-1-ol,
CID5261226,
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| Complexity | 48.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.219g/mol |
| Monoisotopic Mass | 131.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number