| CAS Number | 1491150-03-8 |
| Catalog Number | AG00J2AA |
| Chemical Name | trans-4-(hydroxymethyl)-3-pyrrolidinol hydrochloride |
| IUPAC Name | (3R,4R)-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/t4-,5+;/m1./s1 |
| InChI Key | VXKQZDCFEDEAAX-JBUOLDKXSA-N |
| MDL Number | MFCD28037345 |
| Molecular Formula | C5H12ClNO2 |
| Molecular Weight | 153.6073 |
| SMILES | [C@H]1(CO)CNC[C@@H]1O.Cl |
| Synonyms | trans-4-(Hydroxymethyl)-3-pyrrolidinol hydrochloride,
SCHEMBL1573267,
1491150-03-8,
MFCD28037345,
AKOS027426825,
CID11961925,
(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-ol Hydrochloride,
3-pyrrolidinemethanol, 4-hydroxy hydrochloride (1:1), (3r,4r)-,
217449-25-7,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number