Octahydro-1H-indole-2-carboxamide, Mixture of Diastereomers - CAS 1105694-34-5
Catalog: |
BB061815 |
Product Name: |
Octahydro-1H-indole-2-carboxamide, Mixture of Diastereomers |
CAS: |
1105694-34-5 |
Synonyms: |
octahydro-1H-indole-2-carboxamide; 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide |
IUPAC Name: | 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide |
Molecular Weight: | 168.23 |
Molecular Formula: | C9H16N2O |
Canonical SMILES: | C1CCC2C(C1)CC(N2)C(=O)N |
InChI: | InChI=1S/C9H16N2O/c10-9(12)8-5-6-3-1-2-4-7(6)11-8/h6-8,11H,1-5H2,(H2,10,12) |
InChI Key: | LGNJUPFFTXYXON-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.126263138 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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