[3-(2-Aminoethyl)phenyl]methanol hydrochloride - CAS 105572-53-0
Catalog: |
BB054243 |
Product Name: |
[3-(2-Aminoethyl)phenyl]methanol hydrochloride |
CAS: |
105572-53-0 |
Synonyms: |
Benzenemethanol, 3-(2-aminoethyl)-, hydrochloride (1:1); 3-(2-Aminoethyl)benzyl alcohol hydrochloride |
Related CAS: | 743384-09-0 (free base)
|
IUPAC Name: | [3-(2-aminoethyl)phenyl]methanol;hydrochloride |
Molecular Weight: | 187.67 |
Molecular Formula: | C9H14ClNO |
Canonical SMILES: | C1=CC(=CC(=C1)CO)CCN.Cl |
InChI: | InChI=1S/C9H13NO.ClH/c10-5-4-8-2-1-3-9(6-8)7-11;/h1-3,6,11H,4-5,7,10H2;1H |
InChI Key: | VETXTUIYZSPHSE-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, 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: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0763918 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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