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Procaine hydrochloride(CAS No. 51-05-8)

Procaine hydrochloride C13H20N2O2?HCl (cas 51-05-8) Molecular Structure

51-05-8 Structure

Identification and Related Records

【Name】
Procaine hydrochloride
【CAS Registry number】
51-05-8
【Synonyms】
2-(Diethylamino)ethyl 4-aminobenzoate
Procaine Hcl
ATOXICAINE
【EINECS(EC#)】
200-077-2
【Molecular Formula】
C13H20N2O2?HCl (Products with the same molecular formula)
【Molecular Weight】
272.77
【Inchi】
InChI=1/C13H20N2O2.ClH/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3;1H
【InChIKey】
HCBIBCJNVBAKAB-UHFFFAOYSA-N
【Canonical SMILES】
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.Cl
【MOL File】
51-05-8.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
g/cm3
【Melting Point】
154-158℃
【Boiling Point】
373.6 °C at 760 mmHg
【Flash Point】
179.8 °C
【Water】
soluble
【Solubilities】
soluble
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Computed Properties】
Molecular Weight:272.77104 [g/mol]
Molecular Formula:C13H21ClN2O2
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:7
Tautomer Count:3
Exact Mass:272.129156
MonoIsotopic Mass:272.129156
Topological Polar Surface Area:55.6
Heavy Atom Count:18
Formal Charge:0
Complexity:222
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Hazard Codes】
T:Toxic
【Risk Statements】
R25;R36/37/38
【Safety Statements 】
S26;S37/39;S45
【HazardClass】
6.1
【Safety】
Hazard Codes:T
Risk Statements:25-43-36/37/38-23/24/25
25:Toxic if swallowed
43:May cause sensitization by skin contact
36/37/38:Irritating to eyes, respiratory system and skin
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
Safety Statements:36/37/39-45-37/39-26
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
RIDADR:UN 2811 6.1/PG 3
WGK Germany:3
HazardClass:6.1
PackingGroup:III
【PackingGroup 】
III
【Sensitive】
Air Sensitive
【Transport】
UN 2811
【Specification】

white crystalline powder
Safety Statements:36/37/39-45-37/39-26
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.

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