Orthocaine

C₈H₉NO₃CAS 536-25-4167.16 g/mol

Open in Covalent MOL file

Ester Phenol Primary amine

Properties

Molecular formula: C₈H₉NO₃
Molar mass: 167.16 g/mol
Exact mass: 167.0582 Da
Melting point: 143 °C
logP: 0.76Crippen estimate
Polar surface area: 72.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

536-25-4

SMILES

COC(=O)c1ccc(O)c(N)c1

InChIKey

VNQABZCSYCTZMS-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3

Weigh it out

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

Names and synonyms

11 names

Benzoic acid, 3-amino-4-hydroxy-, methyl ester
Orthoform
Methyl 4-hydroxy-3-aminobenzoate
1-Hydroxy-2-amino-4-carbomethoxybenzene
Methyl 3-amino-4-hydroxybenzoate
Methyl m-amino-p-hydroxybenzoate
Aminobenz
Orthoderm
3-Amino-4-hydroxybenzoic acid methyl ester
Orthoform new
NSC 9813

Work with Orthocaine

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

Methyl 4-amino-3-hydroxybenzoate63435-16-577 % similar Methyl 3,4-dihydroxybenzoate2150-43-873 % similar Dimethyl 3-aminoterephthalate5372-81-669 % similar Methyl vanillate3943-74-668 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-067 % similar Methyl 3-amino-4-methylbenzoate18595-18-165 % similar Methyl 3-amino-4-methoxybenzoate24812-90-665 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-663 % similar

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

Same formula

2-(4-Nitrophenyl)ethanol100-27-6 P-Nitrophenetole100-29-8 1-Methoxy-4-methyl-2-nitrobenzene119-10-8 Glycin122-87-2 2-Methoxy-1-methyl-4-nitrobenzene13120-77-9 2,4-Dimethyl-6-nitrophenol14452-34-7 2-Nitrobenzeneethanol15121-84-3 4-Methoxy-1-methyl-2-nitrobenzene17484-36-5

Elsewhere

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