3-(Dimethylamino)-3-phenylpropanoic Acid Hydrochloride - CAS 85608-26-0
Catalog: |
BB073282 |
Product Name: |
3-(Dimethylamino)-3-phenylpropanoic Acid Hydrochloride |
CAS: |
85608-26-0 |
Synonyms: |
3-(dimethylamino)-3-phenylpropanoic acid hydrochloride; 3-(dimethylamino)-3-phenylpropanoic acid; hydrochloride; 3-(dimethylamino)-3-phenylpropanoicacidhydrochloride |
IUPAC Name: | 3-(dimethylamino)-3-phenylpropanoic acidhydrochloride |
Molecular Weight: | 193.25 + (36.46) |
Molecular Formula: | C11H15NO2·HCl |
Canonical SMILES: | CN(C)C(CC(=O)O)C1=CC=CC=C1.Cl |
InChI: | InChI=1S/C11H15NO2.ClH/c1-12(2)10(8-11(13)14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,13,14)1H |
InChI Key: | RQQZWCPAQWVRTC-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: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0869564 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0869564 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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