Basic information
- CAS
342044-64-8- Standard SMILES
CCOC(=O)c1ccc(N)c(OCC)c1- InChIKey
LYTRTSUGQUYFDO-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-3-ethoxy-, ethyl ester
- IUPAC
- ethyl 4-amino-3-ethoxybenzoate
- English name
- Benzoic acid, 4-amino-3-ethoxy-, ethyl ester (9CI)
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
342044-64-8Benzoic acid, 4-amino-3-ethoxy-, ethyl esterRefChem:327525ethyl 4-amino-3-ethoxybenzoateMFCD01463643Oprea1_379803ethyl4-amino-3-ethoxybenzoateSCHEMBL670443ethyl 4-amino-3-ethoxy-benzoateLYTRTSUGQUYFDO-UHFFFAOYSA-NDTXSID401257072AKOS015948576
Show more names
4-Amino-3-ethoxybenzoic acid ethyl esterBenzoic acid, 4-amino-3-ethoxy-, ethyl ester (9CI)4-amino-3-ethoxy-Benzoic acid ethyl ester (9CI ACI)Benzoic acid, 4-amino-3-ethoxy-, ethyl ester (9CI, ACI)Benzoic acid, 4-amino-3-ethoxy-, ethyl ester (9CI) USP/EP/BP
SB78539DA-06664NS-02316CS-0029739EN300-4328849AE-562/12222466A1-17027
Database identifiers
- CAS
342044-64-8- PubChem CID
- 825957
- DTXSID
DTXSID401257072- EC Number
- 808-655-1
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 356 ℃ · 356℃
- Density
- 1.121 · 1.121
- Flash point
- 170 ℃ · 170℃
- form
- solid
- InChI
- 1S/C11H15NO3/c1-3-14-10-7-8(5-6-9(10)12)11(13)15-4-2/h5-7H,3-4,12H2,1-2H3
- InChIKey
- LYTRTSUGQUYFDO-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C(C=C1OCC)=CC=C1N
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- HS Code
- 2918290090 · 2918290090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
徐州卓运新材料科技有限公司0516-0516 13776763863 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Related reactions
1 records
Compound notes
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