tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate - CAS 1227461-24-6
Catalog: |
BB054681 |
Product Name: |
tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate |
CAS: |
1227461-24-6 |
Synonyms: |
t-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate; 1H-Pyrrole-1-carboxylic acid, 3-amino-4-cyano-2,5-dihydro-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate |
IUPAC Name: | tert-butyl 3-amino-4-cyano-2,5-dihydropyrrole-1-carboxylate |
Molecular Weight: | 209.24 |
Molecular Formula: | C10H15N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(=C(C1)N)C#N |
InChI: | InChI=1S/C10H15N3O2/c1-10(2,3)15-9(14)13-5-7(4-11)8(12)6-13/h5-6,12H2,1-3H3 |
InChI Key: | ZUWAEUIARMWGSF-UHFFFAOYSA-N |
Boiling Point: | 402.2±45.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.11642673 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 79.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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Related Functional Groups
Amines and Anilines
Pyrroles
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