Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride - CAS 781676-62-8
Catalog: |
BB076147 |
Product Name: |
Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride |
CAS: |
781676-62-8 |
Synonyms: |
Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride; methyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate; hydrochloride; Methyl(2S,3aS,7aS)-octahydro-1H-indole-2-carboxylatehydrochloride |
IUPAC Name: | methyl (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylatehydrochloride |
Description: | Methyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride |
Molecular Weight: | 219.71 |
Molecular Formula: | C10H18ClNO2 |
Canonical SMILES: | COC(=O)C1CC2CCCCC2N1.Cl |
InChI: | InChI=1S/C10H17NO2.ClH/c1-13-10(12)9-6-7-4-2-3-5-8(7)11-9/h7-9,11H,2-6H2,1H31H/t7-,8-,9-/m0./s1 |
InChI Key: | AJVPKXUASPJHGJ-YWUTZLAHSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/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: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.1026065 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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