 Home > Encyclopedia > 1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S*,3aR*,6aR*),3aβ,6aβ]- (9CI)

1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S,3aR,6aR*),3aβ,6aβ]- (9CI)

1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S*,3aR*,6aR*),3aβ,6aβ]- (9CI) structure

CAS No:
125503-51-7
Formula:
C30H46Cl2N2O4
Chemical Name:
1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S*,3aR*,6aR*),3aβ,6aβ]- (9CI)
Synonyms:
Bis(3-(1-methyl-2-cyclopenta(b)pyrrolidinyl)-1-propyl)terephthalate dihydrochloride; 4-O-[3-[(2R,3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]propyl] 1-O-[3-(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl)propyl] benzene-1,4-dicarboxylate dihydrochloride;

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1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S,3aR,6aR*),3aβ,6aβ]- (9CI) Basic Attributes

Molecular Weight：

569.60300

Exact Mass：

568.2834633

Characteristics

PSA：

59.08000

XLogP3：

6.78600

Boiling Point：

587.6ºC

Flash Point：

309.1ºC

Vapor Pressure：

8.71E-14mmHg at 25°C

Computed Properties

Molecular Weight:569.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:568.2834633
Monoisotopic Mass:568.2834633
Topological Polar Surface Area:59.1
Heavy Atom Count:38
Complexity:689
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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Guide of 1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S*,3aR*,6aR*),3aβ,6aβ]- (9CI)

Basic Attributes
Characteristics
Computed Properties
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1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S*,3aR*,6aR*),3aβ,6aβ]- (9CI)

1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S*,3aR*,6aR*),3aβ,6aβ]- (9CI) Basic Attributes

Characteristics

Computed Properties

1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S,3aR,6aR*),3aβ,6aβ]- (9CI)

1,4-Benzenedicarboxylic acid, bis[3-(octahydro-1-methylcyclopenta[b]pyrrol-2-yl)propyl] ester, dihydrochloride, [2α(2S,3aR,6aR*),3aβ,6aβ]- (9CI) Basic Attributes