Methyl 4-dimethylaminobenzoate

HCID 70994

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Basic information

CAS: 1202-25-1
Standard SMILES: COC(=O)c1ccc(N(C)C)cc1
InChIKey: DBQGARDMYOMOOS-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: Methyl 4-dimethylaminobenzoate
IUPAC: methyl 4-(dimethylamino)benzoate
English name: Methyl 4-dimethylaminobenzoate
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

Methyl 4-(dimethylamino)benzoate1202-25-1Methyl 4-dimethylaminobenzoateBenzoic acid, 4-(dimethylamino)-, methyl esterEINECS 214-863-8DTXSID30152728NSC 64685RefChem:816395DTXCID2075219214-863-8InChI=1/C10H13NO2/c1-11(2)9-6-4-8(5-7-9)10(12)13-3/h4-7H,1-3HMFCD00014905

Show more names

RARECHEM AL BF 0079Vitamin D2 Impurity 2Benzocaine Impurity 67Methyl 4-(dimethylamino)4-(dimethylamino)-2-methylbenzoateMethyl 4-dimethylaminobenzoate, 98+%4-(Dimethylamino)benzoic acid methyl

4-Dimethylaminobenzoic acid methyl esterMethyl p-(dimethylamino)benzoateBenzoic acid, p-(dimethylamino)-, methyl esterMethyl 4-(N,N-dimethylamino)benzoatep-Dimethylaminobenzoic acid, methyl esterSCHEMBL64502Methyl p-DimethylaminobenzoateCHEMBL3098157

Database identifiers

CAS: 1202-25-1
PubChem CID: 70994
DTXSID: DTXSID30152728
ChEMBL: CHEMBL3098157
EC Number: 214-863-8
Nikkaji: J47.341C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 172

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 100 · 100-102°C
Boiling point: 311.75 °C · 311.75°C (rough estimate)
Density: 1.1248 · 1.1248 (rough estimate)
refractive index: 1.515 · 1.5150 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 2.52 · 2.52±0.12(Predicted)
color: Off-white
Water Solubility: 89.4 mg/L · 89.4mg/L(25 ºC)
BRN: 2209703 · 2209703
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety Statements: 22 · 22-24/25
HS Code: 2922498590 · 2922498590