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67634-12-2

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Basic Information
CAS No.: 67634-12-2
Name: LYRAME C
Molecular Structure:
Molecular Structure of 67634-12-2 (LYRAME C)
Formula: C21H29NO3
Molecular Weight: 343.466
Synonyms: 2-[[[4-(4-Hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]benzoicacid,methylester;Benzoicacid,2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]-,methylester;benzoicacid,2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexenyl]methylene]amino];Benzoicacid,2-[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino-,methylester;Lyral,methylanthranilateSchiff’sbase;MethylN-[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylidene]anthranilate;SCHIFFS BASE-LYRAL AND METHYL ANTHRANILATE;LYRAME C
EINECS: 266-816-6
Density: 1.06 g/cm3
Boiling Point: 498 °C at 760 mmHg
Flash Point: 255 °C
PSA: 58.56000
LogP: 4.89350
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Specification

This chemical is called Benzoic acid,2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]-, methylester, and its systematic name is Methyl 2-[[4-(4-hydroxy-4-methyl-pentyl)-1-cyclohex-3-enyl]methyleneamino]benzoate. With the molecular formula of C21H29NO3, its molecular weight is 343.46. The CAS registry number of the chemical is 67634-12-2. 

Other characteristics of Benzoic acid,2-[[[4-(4-hydroxy-4-methylpentyl)-3-cyclohexen-1-yl]methylene]amino]-, methylester can be summarised as followings: (1)ACD/LogP: 5.40; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.4; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 58.89 Å2; (9)Index of Refraction: 1.535; (10)Molar Refractivity: 100.35 cm3; (11)Molar Volume: 322 cm3; (12)Polarizability: 39.78×10-24cm3; (13)Surface Tension: 37.7 dyne/cm; (14)Density: 1.06 g/cm3; (15)Flash Point: 255 °C; (16)Enthalpy of Vaporization: 80.68 kJ/mol; (17)Boiling Point: 498 °C at 760 mmHg; (18)Vapour Pressure: 9.76E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)c2ccccc2N=CC1C\C=C(/CC1)CCCC(C)(C)O
2.InChI: InChI=1/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3
3.InChIKey: HNLBOCGUTPSUHX-UHFFFAOYAB
4.Std. InChI: InChI=1S/C21H29NO3/c1-21(2,24)14-6-7-16-10-12-17(13-11-16)15-22-19-9-5-4-8-18(19)20(23)25-3/h4-5,8-10,15,17,24H,6-7,11-14H2,1-3H3
5.Std. InChIKey: HNLBOCGUTPSUHX-UHFFFAOYSA-N