Trimethylene glycol di-P-aminobenzoate

C₁₇H₁₈N₂O₄CAS 57609-64-0314.34 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₇H₁₈N₂O₄
Molar mass: 314.34 g/mol
Exact mass: 314.1267 Da
Melting point: 104–106 °C
logP: 2.25Crippen estimate
Polar surface area: 104.6 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 6

Identifiers

CAS number

57609-64-0

SMILES

Nc1ccc(C(=O)OCCCOC(=O)c2ccc(N)cc2)cc1

InChIKey

YPACMOORZSDQDQ-UHFFFAOYSA-N

InChI

InChI=1S/C17H18N2O4/c18-14-6-2-12(3-7-14)16(20)22-10-1-11-23-17(21)13-4-8-15(19)9-5-13/h2-9H,1,10-11,18-19H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all

1,3-Propanediol, 1,3-bis(4-aminobenzoate)
1,3-Propanediol, bis(4-aminobenzoate)
1,3-Propanediol di-p-aminobenzoate
Polacure 740M
TMAB
1,3-Propanediyl bis(p-aminobenzoate)
Trimethylene glycol bis(4-aminobenzoate)
Cuamine CUA 4
Trimethylene glycol di-4-aminobenzoate
1,3-Propanediol bis(p-aminobenzoate)
Trimethylene glycol bis(p-aminobenzoate)
Polacure 740
CUA 4
Vibracure A 157
Versalink 740M
Versalink 740
1,3-Propylene bis(4-aminobenzoate)
Trimethylene di-p-aminobenzoate
Propane-1,3-diyl bis(4-aminobenzoate)
Trimethylene bis(4-aminobenzoate)
Xylink 740M

Work with Trimethylene glycol di-P-aminobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Butyl 4-aminobenzoate94-25-778 % similar Risocaine94-12-272 % similar (Dimethylamino)ethyl p-aminobenzoate10012-47-266 % similar Benzocaine94-09-766 % similar Procaine59-46-162 % similar Benzocaine hydrochloride23239-88-560 % similar Isobutyl P-aminobenzoate94-14-460 % similar Procaine hydrochloride51-05-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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