3-Pyrrolidinecarbonitrile Hydrochloride - CAS 1187930-86-4
Catalog: |
BB004277 |
Product Name: |
3-Pyrrolidinecarbonitrile Hydrochloride |
CAS: |
1187930-86-4 |
Synonyms: |
3-pyrrolidinecarbonitrile;hydrochloride; pyrrolidine-3-carbonitrile;hydrochloride |
IUPAC Name: | pyrrolidine-3-carbonitrile;hydrochloride |
Description: | 3-Pyrrolidinecarbonitrile Hydrochloride (CAS# 1187930-86-4) is a useful research chemical. |
Molecular Weight: | 132.59 |
Molecular Formula: | C5H9ClN2 |
Canonical SMILES: | C1CNCC1C#N.Cl |
InChI: | InChI=1S/C5H8N2.ClH/c6-3-5-1-2-7-4-5;/h5,7H,1-2,4H2;1H |
InChI Key: | LMBZZTJQNYGICT-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
LogP: | 1.25028 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021197467-A1 | Multi-target anti-tumor compound, preparation method therefor and use thereof | 20200402 |
WO-2021027647-A1 | Bridged heterocyclyl-substituted pyrimidine compound, preparation method therefor, and pharmaceutical use thereof | 20190809 |
CN-111606908-A | JAK inhibitor compounds and uses thereof | 20190225 |
WO-2020173400-A1 | Jak inhibitor compound and use thereof | 20190225 |
CN-111606908-B | JAK inhibitor compounds and uses thereof | 20190225 |
Complexity: | 99.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.0454260 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.0454260 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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Pyrrolidines
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