| CAS Number | 1018987-47-7 |
| Catalog Number | AG0005UU(AGN-PC-0WNH41) |
| Chemical Name | 2-Pyrrolidinemethanol, 4-hydroxy-, hydrochloride (1:1), (2R,4S)- |
| IUPAC Name | (3S,5R)-5-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride |
| InChI | InChI=1S/C5H11NO2.ClH/c7-3-4-1-5(8)2-6-4;/h4-8H,1-3H2;1H/t4-,5+;/m1./s1 |
| InChI Key | IUHDMWJWUWKOFE-JBUOLDKXSA-N |
| MDL Number | MFCD30719389 |
| Molecular Formula | C5H12ClNO2 |
| Molecular Weight | 153.6073 |
| SMILES | OC[C@H]1C[C@@H](CN1)O.Cl |
| Synonyms | (3S,5R)-5-(hydroxymethyl)pyrrolidin-3-ol hydrochloride,
1018987-47-7,
(3S,5R)-5-(Hydroxymethyl)pyrrolidin-3-ol HCl,
SCHEMBL3442349,
IUHDMWJWUWKOFE-JBUOLDKXSA-N,
MFCD30719389,
KS-0000087V,
AS-53951,
CS-0053224,
(35,5r)-5-hydroxymethylpyrrolidin-3-ol hydrochloride,
(3S,5R)-5-Hydroxymethylpyrrolidin-3-ol hydrochloride,
(3R,5S)-5-(Hydroxymethyl)pyrrolidin-3-ol Hydrochloride,
478922-47-3,
|
| 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
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number