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83918-73-4

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Basic Information
CAS No.: 83918-73-4
Name: 1-Benzhydrylpiperazinium acetate
Molecular Structure:
Molecular Structure of 83918-73-4 (1-Benzhydrylpiperazinium acetate)
Formula: C19H24N2O2
Molecular Weight: 312.40606
Synonyms: Acetic acid; 1-benzhydrylpiperazine;
EINECS: 281-308-4
Boiling Point: 472 °C at 760 mmHg
Flash Point: 239.3 °C
PSA: 52.57000
LogP: 3.03880
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Specification

The 1-Benzhydrylpiperazinium acetate, with the CAS registry number 83918-73-4, is also known as 1-Benzhydrylpiperazin-1-ium acetate. Its EINECS registry number is 281-308-4. This chemical's molecular formula is C19H24N2O2 and molecular weight is 312.40606. What's more, its IUPAC name is called Acetic acid; 1-benzhydrylpiperazine.

Physical properties about 1-Benzhydrylpiperazinium acetate are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4 ; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 56.6 Å2; (7)Flash Point: 239.3 °C; (8)Enthalpy of Vaporization: 77.42 kJ/mol; (9)Boiling Point: 472 °C at 760 mmHg; (10)Vapour Pressure: 1.03E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-]C(C)=O.c1ccccc1C([NH+]2CCNCC2)c3ccccc3
(2) InChI: InChI=1/C17H20N2.C2H4O2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;1-2(3)4/h1-10,17-18H,11-14H2;1H3,(H,3,4)
(3) InChIKey: JSZJPSGMTDIWMN-UHFFFAOYAW