Basic information
- CAS
119670-11-0- Standard SMILES
CCN1CCCC1CNC(=O)c1c(O)c(Cl)cc(Cl)c1O- InChIKey
DPQOMEPZWBXAMA-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O3
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.0694478
Names & identifiers
- Preferred name
- 3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dihydroxybenzamide
- IUPAC
- 3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dihydroxybenzamide
- English name
- (S)-3,5-Dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dihydroxy-benzamide
- Molecular formula
- C14H18Cl2N2O3
- Molecular weight
- 333.21
Names & synonyms
857335-91-23,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dihydroxybenzamideC14H18Cl2N2O3SCHEMBL8209433,5-Dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dihydroxybenzamideDTXSID30274454(S)-3,5-DICHLORO-N-[(1-ETHYL-2-PYRROLIDINYL)METHYL]-2,6-DIHYDROXY-BENZAMIDEDTXSID9011550653,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-dihydroxy-benzamideSB48370DesmethylracloprideO-DESMETHYLRACLOPRIDE
Show more names
(S)-O-Desmethylraclopride>(S)-(+)-O-desmethylracloprideDesmethylraclopride (Standard)(S)-O-Desmethylraclopride119670-11-0(S)-O-Desmethylraclopride(S)-3,5-Dichloro-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dihydroxybenzamideBenzamide,3,5-dichloro-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dihydroxy-
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Melting point
- 221 to · 221.0 to 225.0 °C
- Boiling point
- 411.3 · 411.3±45.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 2 O: · H2O: 10 mg/mL
- form
- solid
- pka
- 5.8 · 5.80±0.50(Predicted)
- color
- white
- InChI
- 1S/C14H18Cl2N2O3/c1-2-18-5-3-4-8(18)7-17-14(21)11-12(19)9(15)6-10(16)13(11)20/h6,8,19-20H,2-5,7H2,1H3,(H,17,21)/t8-/m0/s1
- InChIKey
- DPQOMEPZWBXAMA-QMMMGPOBSA-N
- SMILES
- CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(Cl)c2O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H318
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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