2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta-[b]thiophene-3-carbonitrile - CAS 23917-22-8
Catalog: |
BB076919 |
Product Name: |
2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta-[b]thiophene-3-carbonitrile |
CAS: |
23917-22-8 |
Synonyms: |
2-Amino-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carbonitrile; 4H-Cyclohepta[b]thiophene-3-carbonitrile, 2-amino-5,6,7,8-tetrahydro-; 2-Amino-3-cyano-4,5-pentamethylene thiophene; 2-Amino-4,5,6,7,8-pentahydrocyclohepta[1,2-b]thiophene-3-carbonitrile |
IUPAC Name: | 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
Molecular Weight: | 192.28 |
Molecular Formula: | C10H12N2S |
Canonical SMILES: | C1CCC2=C(CC1)SC(=C2C#N)N |
InChI: | InChI=1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2 |
InChI Key: | GBQACFCEZPKMTA-UHFFFAOYSA-N |
Boiling Point: | 406.4±45.0°C (Predicted) |
Melting Point: | 115-117°C |
Purity: | ≥95% |
Density: | 1.23±0.1 g/cm3 (Predicted) |
Solubility: | Soluble in Ethanol |
Storage: | Store at RT |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 232 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.07211956 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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