| CAS Number | 726139-60-2 |
| Catalog Number | AG00FH2C(AGN-PC-0IJ19V) |
| Chemical Name | 3-Pyrrolidineacetic acid ethyl ester hydrochloride |
| IUPAC Name | ethyl 2-pyrrolidin-3-ylacetate;hydrochloride |
| InChI | InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)5-7-3-4-9-6-7;/h7,9H,2-6H2,1H3;1H |
| InChI Key | XYHHKYXWUASOJF-UHFFFAOYSA-N |
| MDL Number | MFCD17171210 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | Cl.CCOC(=O)CC1CCNC1 |
| Synonyms | Ethyl 2-(pyrrolidin-3-yl)acetate hydrochloride,
726139-60-2,
AK-64695,
3-PYRROLIDINEACETIC ACID ETHYL ESTER HYDROCHLORIDE,
SCHEMBL6102502,
DTXSID20741084,
KS-000007KR,
1258AC,
MFCD17171210,
PB11711,
3-Pyrrolidineacetic acid ethyl ester HCl,
Ethyl pyrrolidine-3-acetate hydrochloride,
DS-15611,
AX8214467,
CS-0049522,
Q-1761,
Ethyl 2-(pyrrolidin-3-yl);acetate hydrochloride,
F2167-8214,
Ethyl (pyrrolidin-3-yl)acetate--hydrogen chloride (1/1),
C8H16ClNO2,
Ethyl2-(pyrrolidin-3-yl)acetatehydrochloride,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| 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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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number