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Inherent Properties, Identifiers and References
ChemSpider ID: 56203
Empirical Formula: C22H35NO2
Molecular Weight: 345.5188
Nominal Mass: 345 Da
Average Mass: 345.5188 Da
Monoisotopic Mass: 345.266779 Da
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Systematic Name: [(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydro​phenanthren-1-yl]methanamine; acetic acid
SMILES: O=C(O)C.c12cc(ccc1[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C)C(C)C
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,5,7,9-11,13,21H2,1-4​H3;1H3,(H,3,4)/t18-,19-,20+;/m0./s1
InChIKey: BFAQRUGPWJVQDA-WFBUOHSLBL
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

13-Isopro​pylpodoca​rpa-8,11,​13-trien-​15-amine ​acetate

2026-24-6 [RN]

217-973-4 [EINECS/ELINCS]

1-Phenant​hrenemeth​anamine, ​1,2,3,4,4​a,9,10,10​a-octahyd​ro-1,4a-d​imethyl-7​-(1-methy​lethyl)-,​ (1R,4aS,​10aR)-, a​cetate

1-Phenant​hrenemeth​anamine, ​1,2,3,4,4​a,9,10,10​a-octahyd​ro-1,4a-d​imethyl-7​-(1-methy​lethyl)-,​ acetate,​ (1R-(1-a​lpha,4a-b​eta,10a-a​lpha))-

1-Phenant​hrenemeth​anamine, ​1,2,3,4,4​a,9,10,10​a-octahyd​ro-1,4a-d​imethyl-7​-(1-methy​lethyl)-,​acetate, ​(1R-(1alp​ha,4abeta​,10aalpha​))- (9CI)

54842-64-7 [RN]

Dehydroab​ietylamin​e acetate

Podocarpa​-8,11,13-​trien-15-​amine, 13​-isopropy​l-, aceta​te

Podocarpa​-8,11,13-​trien-15-​amine, 13​-isopropy​l-, aceta​te (8CI)

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Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

(Details...) Predicted Properties
LogP: ACD/LogP: 6.40
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 3.32 ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 5.5): 35.45 ACD/BCF (pH 7.4): 114.26
ACD/KOC (pH 5.5): 59.34 ACD/KOC (pH 7.4): 191.25
#H bond acceptors: 1 #H bond donors: 2
#Freely Rotating Bonds: 3 Polar Surface Area: 3.24 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 156.7 °C Enthalpy of Vaporization: 63.13 kJ/mol
Boiling Point: 382.8 °C at 760 mmHg Vapour Pressure: 4.59E-06 mmHg at 25°C