| CAS Number | 54609-15-3 |
| Catalog Number | AG01A9DC(AGN-PC-00JZ7C) |
| Chemical Name | 3-(2,5-dimethyl-1H-pyrrol-1-yl)propan-1-ol |
| IUPAC Name | 3-(2,5-dimethylpyrrol-1-yl)propan-1-ol |
| InChI | InChI=1S/C9H15NO/c1-8-4-5-9(2)10(8)6-3-7-11/h4-5,11H,3,6-7H2,1-2H3 |
| InChI Key | GOUOXVSGSPMQQY-UHFFFAOYSA-N |
| MDL Number | MFCD16547727 |
| Molecular Formula | C9H15NO |
| Molecular Weight | 153.2215 |
| SMILES | CC1N(CCCO)C(C)=CC=1 |
| Synonyms | 3-(2,5-dimethyl-1H-pyrrol-1-yl)propan-1-ol,
54609-15-3,
AC1Q2JKL,
SCHEMBL4487085,
GOUOXVSGSPMQQY-UHFFFAOYSA-N,
ZINC39332750,
AKOS026730288,
MCULE-1331217630,
NE15999,
2.5-dimethyl-1-(3-hydroxypropyl)pyrrole,
2,5-Dimethyl-1H-pyrrole-1-(propan-1-ol),
EN300-64763,
Z55892359,
1-(2,4-dimethylpyrrol-1-yl)propan-1-ol,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.225g/mol |
| Monoisotopic Mass | 153.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number