Benzoic acid, 4-amino-3,5-dimethyl-, ethyl ester

HCID 201013
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Basic information

CAS
3095-47-4
Standard SMILES
CCOC(=O)c1cc(C)c(N)c(C)c1
InChIKey
GEMKGDSDLYAIRK-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Names & identifiers

Preferred name
Benzoic acid, 4-amino-3,5-dimethyl-, ethyl ester
IUPAC
ethyl 4-amino-3,5-dimethylbenzoate
English name
ethyl 4-aMino-3,5-diMethylbenzoate
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

Ethyl 4-amino-3,5-dimethylbenzoate3095-47-4Benzoic acid, 4-amino-3,5-dimethyl-, ethyl esterBRN 2369959DTXSID101849263-14-00-01278 (Beilstein Handbook Reference)RefChem:327520DTXCID50107417MFCD01660411ethyl 4-amino-3,5-dimethyl-benzoateethyl 4-aminomesitylenateSCHEMBL1101657
Show more names
SCHEMBL7930642GEMKGDSDLYAIRK-UHFFFAOYSA-Nethyl 4-amino-3, 5-dimethylbenzoateAKOS015890858SY270943DB-351535CS-0450837G72198

Database identifiers

CAS
3095-47-4
PubChem CID
201013
DTXSID
DTXSID10184926

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Physicochemical properties

Melting point
66 · 66-67 °C
Boiling point
343.9 · 343.9±37.0 °C(Predicted)
Density
1.081 · 1.081±0.06 g/cm3(Predicted)
pka
2.21 · 2.21±0.10(Predicted)
EWG's Food Scores
1 · 1

Chemistry & industry

Suppliers5 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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