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Bupivacaine hydrochloride

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Name

Bupivacaine hydrochloride

EINECS 241-917-8
CAS No. 18010-40-7 Density N/A
PSA 32.34000 LogP 4.70940
Solubility Soluble in water Melting Point 257°C(dec.)(lit.)
Formula C18H28N2O.ClH Boiling Point 423.4 °C at 760 mmHg
Molecular Weight 324.894 Flash Point 209.9 °C
Transport Information UN 2811 6.1/PG 2 Appearance N/A
Safety 22-36/37/39-45 Risk Codes 26/27/28
Molecular Structure Molecular Structure of 18010-40-7 (bupivacaine hydrochloride) Hazard Symbols VeryT+
Synonyms

2-Piperidinecarboxamide,1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride (9CI);2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride (6CI);2',6'-Pipecoloxylidide,1-butyl-, monohydrochloride (8CI);Bupivacaine HCl;

Article Data 5

Bupivacaine hydrochloride Specification

The CAS register number of 2-Piperidinecarboxamide,1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1) is 18010-40-7. It also can be called as 2-Piperidinecarboxamide,1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride (9CI) and the systematic name about this chemical is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride (1:1). The molecular formula about this chemical is C18H28N2O.ClH and the molecular weight is 324.8887.

Physical properties about 2-Piperidinecarboxamide,1-butyl-N-(2,6-dimethylphenyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 1.47; (3)ACD/LogD (pH 7.4): 3.15; (4)ACD/BCF (pH 5.5): 2.34; (5)ACD/BCF (pH 7.4): 111.54; (6)ACD/KOC (pH 5.5): 15.49; (7)ACD/KOC (pH 7.4): 739.57; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 23.55 Å2; (12)Flash Point: 209.9 °C; (13)Enthalpy of Vaporization: 67.78 kJ/mol; (14)Boiling Point: 423.4 °C at 760 mmHg; (15)Vapour Pressure: 2.24E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. When you are using it, do not breathe dust. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(Nc1c(cccc1C)C)C2N(CCCC)CCCC2
(2)InChI: InChI=1/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H
(3)InChIKey: SIEYLFHKZGLBNX-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C18H28N2O.ClH/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H
(5)Std. InChIKey: SIEYLFHKZGLBNX-UHFFFAOYSA-N

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