Orthocaine
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 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed14.3% of notifiers
- H315 Causes skin irritation85.7% of notifiers
- H319 Causes serious eye irritation85.7% of notifiers
- H335 May cause respiratory irritation71.4% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
536-25-4SMILES
COC(=O)c1ccc(O)c(N)c1InChIKey
VNQABZCSYCTZMS-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,9H2,1H3Weigh 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
Similar compounds
Methyl 4-amino-3-hydroxybenzoate63435-16-577 % similar
Methyl 3,4-dihydroxybenzoate2150-43-873 % similar
Methyl 3,4-diaminobenzoate36692-49-671 % 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
Tanimoto similarity of circular fingerprints over the whole catalogue.