| CAS Number | 1343606-51-8 |
| Catalog Number | AG009I9K(AGN-PC-0DA729) |
| Chemical Name | 1-((6-Chloropyridin-3-yl)methyl)pyrrolidin-3-ol |
| IUPAC Name | 1-[(6-chloropyridin-3-yl)methyl]pyrrolidin-3-ol |
| InChI | InChI=1S/C10H13ClN2O/c11-10-2-1-8(5-12-10)6-13-4-3-9(14)7-13/h1-2,5,9,14H,3-4,6-7H2 |
| InChI Key | MXTQEVGFBGHPNN-UHFFFAOYSA-N |
| MDL Number | MFCD17143010 |
| Molecular Formula | C10H13ClN2O |
| Molecular Weight | 212.6760 |
| SMILES | OC1CN(CC2=CC=C(Cl)N=C2)CC1 |
| Synonyms | 1-((6-Chloropyridin-3-yl)methyl)pyrrolidin-3-ol,
1343606-51-8,
1-(6-Chloro-pyridin-3-ylmethyl)-pyrrolidin-3-ol,
1-[(6-chloropyridin-3-yl)methyl]pyrrolidin-3-ol,
SCHEMBL5045185,
MFCD17143010,
SBB075910,
AKOS012213948,
DS-9702,
AK160094,
ST24036956,
1-(6-Chloropyridin-3-ylmethyl)pyrrolidin-3-ol,
1-[(6-chloro-3-pyridyl)methyl]pyrrolidin-3-ol,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.677g/mol |
| Monoisotopic Mass | 212.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number