Methyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride - CAS 1212063-26-7
Catalog: |
BB050715 |
Product Name: |
Methyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride |
CAS: |
1212063-26-7 |
Synonyms: |
3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, methyl ester, (1R,5S)-, hydrochloride (1:1); Methyl exo-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride; 3-Azabicyclo[3.1.0]hexane-6-carboxylic acid, methyl ester, hydrochloride (1:1), (1α,5α,6α)- |
Related CAS: | 1024038-72-9 (free base)
|
IUPAC Name: | methyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate;hydrochloride |
Molecular Weight: | 177.63 |
Molecular Formula: | C7H12ClNO2 |
Canonical SMILES: | COC(=O)C1C2C1CNC2.Cl |
InChI: | InChI=1S/C7H11NO2.ClH/c1-10-7(9)6-4-2-8-3-5(4)6;/h4-6,8H,2-3H2,1H3;1H/t4-,5+,6?; |
InChI Key: | FINRNZAMIJPDPU-FTEHNKOGSA-N |
Purity: | ≥95% |
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: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0556563 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0556563 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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