Basic information
- CAS
25017-47-4- Standard SMILES
COc1ccc(CCNC(N)=O)cc1OC- InChIKey
MDAOEGJTBPQGCB-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- N-(2-(3,4-Dimethoxyphenyl)ethyl)urea
- IUPAC
- 2-(3,4-dimethoxyphenyl)ethylurea
- English name
- (3,4-Dimethoxyphenethyl)urea
- Molecular formula
- C11H16N2O3
- Molecular weight
- 224.26
Names & synonyms
25017-47-4Urea, (3,4-dimethoxyphenethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]urea4R2A6Q2UZYUrea, (2-(3,4-dimethoxyphenyl)ethyl)-NSC-27473N-(2-(3,4-Dimethoxyphenyl)ethyl)ureaDTXSID60179726RefChem:1090923DTXCID201022171-(3,4-dimethoxyphenethyl)urea(3,4-Dimethoxyphenethyl)urea
Show more names
Ensifentrine urea impurityUrea, N-[2-(3,4-dimethoxyphenyl)ethyl]-
2-(3,4-dimethoxyphenyl)ethylureaMFCD00238985NSC 27473Urea, (3,4-(dimethoxy)phenethyl)-BRN 2736376NSC27473[2-(3,4-dimethoxyphenyl)ethyl]ureaUNII-4R2A6Q2UZY
Database identifiers
- CAS
25017-47-4- PubChem CID
- 95288
- DTXSID
DTXSID60179726- UNII
- 4R2A6Q2UZY
- Nikkaji
- J48.912C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- InChI
- InChI=1S/C11H16N2O3/c1-15-9-4-3-8(7-10(9)16-2)5-6-13-11(12)14/h3-4,7H,5-6H2,1-2H3,(H3,12,13,14)
- InChIKey
- MDAOEGJTBPQGCB-UHFFFAOYSA-N
- SMILES
- N(CCC1=CC=C(OC)C(OC)=C1)C(N)=O
- FDA UNII
- 4 R2A6Q2UZY · 4R2A6Q2UZY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers23 total
南通小竹生物医药有限公司18015606981 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
安庆奇创药业有限公司18061456370 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
济南德信佳生物科技有限公司0531-82375818 15064153060 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
南京宏望医药科技有限公司15366073145 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
上海凯米莱铂生物科技有限公司18116465878 · [email protected]
ANHUI CHICO CHEMICAL CO., LTD.13057662806 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
安徽德信佳生物医药有限公司+86-531-82375818 +86-15064153060 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
杭州科耀医药科技有限公司17185714011 · [email protected]
安徽德信佳生物医药有限公司0531-82375886 13001715031 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
诺迪嘉生物医药（苏州）有限公司15150674956 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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