| CAS Number | 10603-53-9 |
| Catalog Number | AG0084HH(AGN-PC-03LL0P) |
| Chemical Name | Pyrrolidine-3-carbonitrile |
| IUPAC Name | pyrrolidine-3-carbonitrile |
| InChI | InChI=1S/C5H8N2/c6-3-5-1-2-7-4-5/h5,7H,1-2,4H2 |
| InChI Key | DATJETPTDKFEEF-UHFFFAOYSA-N |
| MDL Number | MFCD06658510 |
| Molecular Formula | C5H8N2 |
| Molecular Weight | 96.1304 |
| SMILES | N#CC1CNCC1 |
| Synonyms | PYRROLIDINE-3-CARBONITRILE,
10603-53-9,
3-Pyrrolidinecarbonitrile,
(S)-pyrrolidine-3-carbonitrile,
3-Pyrrolidinecarbonitrile TFA,
(RS)-pyrrolidine-3-carbonitrile,
CTK0H1758,
DATJETPTDKFEEF-UHFFFAOYSA-N,
1154097-25-2,
CS-D0745,
MFCD06658510,
AKOS006335676,
SB10222,
DB-008679,
FT-0757992,
K-0521,
F1907-0845,
3-Cyanopyrrolidine,
(R)-pyrrolidine-3-carbonitrile,
1154097-27-4,
|
| Complexity | 99.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 96.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 96.133g/mol |
| Monoisotopic Mass | 96.069g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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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