Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-amine Hydrochloride - CAS 2299-00-5
Catalog: |
BB073639 |
Product Name: |
Bicyclo[4.2.0]octa-1,3,5-trien-7-yl-amine Hydrochloride |
CAS: |
2299-00-5 |
Synonyms: |
bicyclo[4.2.0]octa-1,3,5-trien-7-amine hydrochloride; bicyclo[4.2.0]octa-1(6),2,4-trien-7-amine hydrochloride; bicyclo[4.2.0]octa-1,3,5-trien-7-amine; hydrochloride |
IUPAC Name: | bicyclo[4.2.0]octa-1,3,5-trien-7-aminehydrochloride |
Molecular Weight: | 119.17+(36.46) |
Molecular Formula: | C8H9N·HCl |
Canonical SMILES: | C1C(C2=CC=CC=C21)N.Cl |
InChI: | InChI=1S/C8H9N.ClH/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5,9H21H |
InChI Key: | DMXZQYQZYGGJTC-UHFFFAOYSA-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: | 111 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.050177 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.050177 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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