Ethyl 4-(butylamino)benzoate

HCID 66746
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Basic information

CAS
94-32-6
Standard SMILES
CCCCNc1ccc(C(=O)OCC)cc1
InChIKey
GTXRSQYDLPYYNW-UHFFFAOYSA-N
Molecular formula
C13H19NO2
Average molar mass
221.29 g/mol
Monoisotopic mass
221.14157885

Names & identifiers

Preferred name
Ethyl 4-(butylamino)benzoate
IUPAC
ethyl 4-(butylamino)benzoate
English name
Ethyl 4-(butylamino)benzoate
Molecular formula
C13H19NO2
Molecular weight
221.3

Names & synonyms

Ethyl 4-(butylamino)benzoate94-32-6Ethyl 4-butylaminobenzoateBenzoic acid, 4-(butylamino)-, ethyl esterD68EP3V31WDTXSID1059101RefChem:1084918DTXCID5048899202-322-9Ethyl p-butylaminobenzoateMFCD00017283UNII-D68EP3V31W
Show more names
butyl benzocaineTIMTEC-BB SBB000607Tetracaine Impurity 64-Ethyl-N-butylaminobenzoate4-(butylamino)-2-ethylbenzoateEthyl4-(Butylamino)benzoate>ETHYL-P- (N-BUTYLAMINO) BENZOATE
4-(Butylamino)benzoic Acid Ethyl Ester4-(n-butylamino)benzoic acid ethyl esterSCHEMBL5025348Ethyl 4-(n-butylamino)benzoateEthyl 4-(Butylamino)benzoate(4-(Butylamino)benzoic Acid Ethyl Ester)AS-14744Q27276166Ethyl 4-?(Butylamino)?benzoate(4-(Butylamino)benzoic Acid Ethyl Ester)

Database identifiers

CAS
94-32-6
PubChem CID
66746
DTXSID
DTXSID1059101
UNII
D68EP3V31W
EC Number
202-322-9
Nikkaji
J182.100H

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
16

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
68 · 68-70 °C (lit.)
Boiling point
220 °C/2 · 220 °C/2 mmHg (lit.)
Density
1.0451 · 1.0451 (rough estimate)
refractive index
1.5175 · 1.5175 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
DMSO (Slightly), Methanol (Slightly)

Safety & regulation

Hazard information

Hazards SummaryMay cause irritation; May cause allergic reactions in sensitive individuals; [Sigma-Aldrich MSDS] Search for (94-32-6[EC/RN Number]) AND (allergic OR dermatitis OR sensitizer OR sensitization): no results; [PubMed]

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
tsca
TSCA listed
hs_code
29224999
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzoic acid, 4-(butylamino)-, ethyl ester: ACTIVE

Applications

Uses4-(Butylamino)benzoic Acid Ethyl Ester is an N-alkylated ester derivative of aminobenzoic acid. 4-(Butylamino)benzoic Acid Ethyl Ester is an impurity of Benzonatate (B204500).

General DescriptionEthyl 4-(butylamino)benzoate is an ethyl ester of 4-(butylamino)-benzoic acid. It is used in chemical synthesis.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

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Compound notes

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