| CAS Number | 3608-70-6 |
| Catalog Number | AG00C6UX(AGN-PC-0WAMZ3) |
| Chemical Name | 1-ethyl-3-chloro-pyrrolidine |
| IUPAC Name | 3-chloro-1-ethylpyrrolidine |
| InChI | InChI=1S/C6H12ClN/c1-2-8-4-3-6(7)5-8/h6H,2-5H2,1H3 |
| InChI Key | WDBPDIQNBCWYOY-UHFFFAOYSA-N |
| MDL Number | MFCD09753794 |
| Molecular Formula | C6H12ClN |
| Molecular Weight | 133.6192 |
| SMILES | CCN1CC(Cl)CC1 |
| Synonyms | 3-CHLORO-1-ETHYLPYRROLIDINE,
3608-70-6,
3-chloro-1-ethyl-pyrrolidine,
1-ethyl-3-chloro-pyrrolidine,
SCHEMBL2619540,
CTK6E9693,
MFCD09753794,
1-ETHYL-3-CHLORO PYRROLIDINE,
AKOS012693993,
KS-00000R98,
AK552016,
|
| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 133.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 133.619g/mol |
| Monoisotopic Mass | 133.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
3
|
|
Hazard statements
|
H226-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P305+P351+P338
|
|
Signal Words
|
danger
|
|
UN Code
|
UN 1993
|
Certificate of Analysis
Lot Number