Promecarb

C₁₂H₁₇NO₂CAS 2631-37-0207.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₇NO₂
Molar mass: 207.27 g/mol
Exact mass: 207.1259 Da
Melting point: 87–87.5 °C
Boiling point: 117 °C (at 0.1 Torr)
Water solubility: 91 mg/L
logP: 3.04Crippen estimate
Polar surface area: 41.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 006-037-00-9), via PubChem.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P391, P405, P501

Identifiers

CAS number

2631-37-0

SMILES

CN=C(O)Oc1cc(C)cc(C(C)C)c1

InChIKey

DTAPQAJKAFRNJB-UHFFFAOYSA-N

InChI

InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)

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

Names and synonyms

17 names · show all

Phenol, 3-methyl-5-(1-methylethyl)-, 1-(N-methylcarbamate)
Carbamic acid, methyl-, m-cym-5-yl ester
Phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate
EP 316
Schering 34615
m-Cym-5-yl methylcarbamate
Minacide
Morton EP-316
ITC
Sch 34615
3-Methyl-5-isopropylphenyl methylcarbamate
Carbamult
3-Methyl-5-isopropylphenyl N-methylcarbamate
3-Isopropyl-5-methylphenyl N-methylcarbamate
3-Isopropyl-5-methylphenyl methylcarbamate
NSC 35378
3-Methyl-5-i-propylphenyl N-methylcarbamate

Work with Promecarb

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

Metolcarb1129-41-556 % similar Methiocarb2032-65-747 % similar Xylylcarb2425-10-747 % similar Isoprocarb2631-40-544 % similar 3-Isopropyl-5-methylphenol3228-03-343 % similar Metaxalone1665-48-142 % similar Propoxur114-26-138 % similar 3,5-Di(propan-2-yl)phenyl hydroperoxide26762-93-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-[4-(dimethylamino)phenyl]acetate17078-29-4 N-Ethyl-N-phenyl-β-alanine methyl ester21608-06-0 4-(Ethyl(2-hydroxyethyl)amino)-o-tolualdehyde21850-52-2 N-(Phenylmethyl)-β-alanine ethyl ester23583-21-3 Hexyl nicotinate23597-82-2 Ciclopirox29342-05-0 Fenobucarb3766-81-2 4-(Phenylmethyl)-2-morpholinemethanol40987-24-4

Elsewhere

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