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ChemSpider ID: |
194593
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Empirical Formula: |
C22H35NO2
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Molecular Weight: |
345.5188
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Nominal Mass: |
345
Da
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Average Mass: |
345.5188
Da
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Monoisotopic Mass: |
345.266779
Da
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Systematic Name: |
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SMILES: |
O=C(O)C.c12cc(ccc1C3(CCCC(C3CC2)(C)CN)C)C(C)C
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InChI: |
InChI=1/C20H31N.C2H4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-2(3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1H3,(H,3,4)
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InChIKey: |
BFAQRUGPWJVQDA-UHFFFAOYAO
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1, 4a-dimethyl-7- (1-methylethyl)-, acetate, [1R-(1.alpha.,4a.beta., 10a.alpha.)]-
2026-24-6
[RN]
Dehydroabietylamine acetate
Podocarpa-8,11,13-trien-15-amine, 13-isopropyl-, acetate
Rosin amine D acetate
Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
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LogP: |
ACD/LogP:
6.40
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# of Rule of 5 Violations: |
1
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ACD/LogD (pH 5.5): |
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ACD/LogD (pH 7.4): |
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ACD/BCF (pH 5.5): |
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ACD/BCF (pH 7.4): |
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ACD/KOC (pH 5.5): |
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ACD/KOC (pH 7.4): |
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#H bond acceptors: |
1
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#H bond donors: |
2
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#Freely Rotating Bonds: |
3
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Polar Surface Area: |
3.24
Å2
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Index of Refraction: |
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Molar Refractivity: |
cm3
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Molar Volume: |
cm3
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Polarizability: |
10-24cm3
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Surface Tension: |
dyne/cm
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Density: |
g/cm3
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Flash Point: |
156.7
°C
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Enthalpy of Vaporization: |
63.13
kJ/mol
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Boiling Point: |
382.8
°C at 760 mmHg
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Vapour Pressure: |
4.59E-06
mmHg at 25°C
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