| CAS Number | 926248-64-8 |
| Catalog Number | AG01AKMN(AGN-PC-0WCN40) |
| Chemical Name | 2-amino-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-ol |
| IUPAC Name | 2-amino-1-(1-methylpyrrol-2-yl)ethanol |
| InChI | InChI=1S/C7H12N2O/c1-9-4-2-3-6(9)7(10)5-8/h2-4,7,10H,5,8H2,1H3 |
| InChI Key | YPEDCPNXDIGKFP-UHFFFAOYSA-N |
| MDL Number | MFCD09041281 |
| Molecular Formula | C7H12N2O |
| Molecular Weight | 140.1830 |
| SMILES | CN1C(C(CN)O)=CC=C1 |
| Synonyms | 2-amino-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-ol,
926248-64-8,
CTK7E3018,
AKOS000123353,
AKOS022903488,
MCULE-4026067471,
NE14131,
EN300-84622,
2-AMINO-1-(1-METHYL-1H-PYRROL-2-YL)ETHANOL,
F2189-0567,
Z1258578427,
2-amino-1-(1-methylpyrrol-2-yl)ethanol,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.186g/mol |
| Monoisotopic Mass | 140.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number