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68391-31-1

Basic Information
CAS No.: 68391-31-1
Name: BASIC YELLOW 57
Molecular Structure:
Molecular Structure of 68391-31-1 (BASIC YELLOW 57)
Formula: C19H22N5O.Cl
Molecular Weight: 371.86
Synonyms: Benzenaminium,3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-N,N,N-trimethyl-,chloride (9CI);Arianor Straw Yellow;Arianor Straw Yellow 306005;Basic Yellow57;C.I. 12719;C.I. Basic Yellow 57;Jarocol Straw Yellow;
EINECS: 269-943-5
Boiling Point: 250℃[at 101 325 Pa]
Solubility: 4.75g/L at 28℃
PSA: 57.39000
LogP: 0.26390
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Specification

This chemical is called Benzenaminium,3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N,N,N-trimethyl-,chloride (1:1), and its systematic name is Trimethyl-[3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]phenyl]ammonium chloride. With the molecular formula of C19H22ClN5O, its molecular weight is 371.86. The CAS registry number of the chemical is 68391-31-1. 

Other characteristics of Benzenaminium,3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]-N,N,N-trimethyl-,chloride (1:1) can be summarised as followings: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 57.39 Å2.

You can still convert the following datas into molecular structure:
1.SMILES: [Cl-].C[N+](C)(C)c1cccc(c1)N=NC3C(\C)=N/N(c2ccccc2)C3=O
2.InChI: InChI=1/C19H22N5O.ClH/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4;/h5-13,18H,1-4H3;1H/q+1;/p-1
3.InChIKey: NWKBFCIAPOSTKG-REWHXWOFAI
4.Std. InChI: InChI=1S/C19H22N5O.ClH/c1-14-18(19(25)23(22-14)16-10-6-5-7-11-16)21-20-15-9-8-12-17(13-15)24(2,3)4;/h5-13,18H,1-4H3;1H/q+1;/p-1
5.Std. InChIKey: NWKBFCIAPOSTKG-UHFFFAOYSA-M