2,3,4,5-Tetrahydro-1H-1-benzazepine - CAS 1701-57-1
Catalog: |
BB076738 |
Product Name: |
2,3,4,5-Tetrahydro-1H-1-benzazepine |
CAS: |
1701-57-1 |
Synonyms: |
1,2,3,4-Tetrahydro-5H-1-benzazepine; 2,3,4,5-Tetrahydro-1H-benzazepine; 2,3,4,5-Tetrahydro-1H-benzo[b]azepine; Tetrahydrohomoquinoline |
IUPAC Name: | 2,3,4,5-tetrahydro-1H-1-benzazepine |
Description: | 2,3,4,5-Tetrahydro-1H-1-benzazepine is a reactant in the synthesis of adamantane derivatives as cannabinoid receptor 2 agonists. |
Molecular Weight: | 147.22 |
Molecular Formula: | C10H13N |
Canonical SMILES: | C1CCNC2=CC=CC=C2C1 |
InChI: | InChI=1S/C10H13N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-2,5,7,11H,3-4,6,8H2 |
InChI Key: | MZBVNYACSSGXID-UHFFFAOYSA-N |
References: | Nettekoven, M., et. al. Bioorg. Med. Chem. Lett., 23, 1177 (2013). |
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 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.104799419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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