| CAS Number | 853270-49-2 |
| Catalog Number | AG00J2A2(AGN-PC-0OJUOW) |
| Chemical Name | cis-4-(Hydroxymethyl)pyrrolidin-3-ol hydrochloride |
| IUPAC Name | 4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride |
| InChI | InChI=1S/C5H11NO2.ClH/c7-3-4-1-6-2-5(4)8;/h4-8H,1-3H2;1H |
| InChI Key | VXKQZDCFEDEAAX-UHFFFAOYSA-N |
| MDL Number | MFCD28038708 |
| Molecular Formula | C5H12ClNO2 |
| Molecular Weight | 153.6073 |
| SMILES | [C@H]1(CO)CNC[C@H]1O.Cl |
| Synonyms | 1609403-89-5,
4-(Hydroxymethyl)pyrrolidin-3-ol hydrochloride,
4-(Hydroxymethyl)pyrrolidin-3-ol HCl,
4-(hydroxymethyl)-3-pyrrolidinol hydrochloride,
cis-4-(Hydroxymethyl)pyrrolidin-3-ol hydrochloride,
853270-49-2,
SCHEMBL15391373,
VXKQZDCFEDEAAX-UHFFFAOYSA-N,
ZX-CM010849,
MFCD28024801,
AKOS027255380,
EN300-252792,
4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.606g/mol |
| Monoisotopic Mass | 153.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number