CAS No.18010-40-7,bupivacaine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	18010-40-7
Name:	bupivacaine hydrochloride
Article Data:	5

Formula:	C₁₈H₂₈N₂O.ClH
Molecular Weight:	324.894
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;
EINECS:	241-917-8
Melting Point:	257°C(dec.)(lit.)
Boiling Point:	423.4 °C at 760 mmHg
Flash Point:	209.9 °C
Solubility:	Soluble in water
Hazard Symbols:	T+
Risk Codes:	26/27/28
Safety:	22-36/37/39-45
Transport Information:	UN 2811 6.1/PG 2
PSA:	32.34000
LogP:	4.70940

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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