| CAS Number | 477700-38-2 |
| Catalog Number | AG00DMW5(AGN-PC-0RW46T) |
| Chemical Name | 1-(Pyrrolidin-3-yl)ethanol |
| IUPAC Name | 1-pyrrolidin-3-ylethanol |
| InChI | InChI=1S/C6H13NO/c1-5(8)6-2-3-7-4-6/h5-8H,2-4H2,1H3 |
| InChI Key | DCTWOTGISQSTGL-UHFFFAOYSA-N |
| MDL Number | MFCD09036505 |
| Molecular Formula | C6H13NO |
| Molecular Weight | 115.1735 |
| SMILES | CC(C1CNCC1)O |
| Synonyms | 1-(PYRROLIDIN-3-YL)ETHAN-1-OL,
477700-38-2,
1-(Pyrrolidin-3-yl)ethanol,
1-(3-PYRROLIDINYL)ETHANOL,
1-pyrrolidin-3-yl-ethanol,
pyrrolidin-3-ylethanol,
SCHEMBL364423,
3-(1-hydroxyethyl)-pyrrolidine,
DCTWOTGISQSTGL-UHFFFAOYSA-N,
MFCD09036505,
AKOS004120721,
AKOS022719630,
MCULE-3316354505,
NE14088,
AM806521,
AS-54857,
FT-0727239,
Z1642579433,
|
| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.176g/mol |
| Monoisotopic Mass | 115.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number