Basic information
- CAS
24530-67-4- Standard SMILES
COc1ccc(NC(C)=O)cc1N(CCO)CCO- InChIKey
UIQVGOZJVVAPOV-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.14230712
Names & identifiers
- Preferred name
- Acetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]-
- IUPAC
- N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamide
- English name
- 4-Acetylamino-2-(bis(2-hydroxyethyl)amino)anisole
- Molecular formula
- C13H20N2O4
- Molecular weight
- 268.31
Names & synonyms
N-(3-(Bis(2-hydroxyethyl)amino)-4-methoxyphenyl)acetamideN-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]acetamideAcetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]-EINECS 246-300-7n-{3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl}acetamideDTXSID6066997Acetamide, N-(3-(bis(2-hydroxyethyl)amino)-4-methoxyphenyl)-N-[3-(bis(2-hydroxyethyl)amino)-4-methoxyphenyl]acetamideRefChem:315173DTXCID3037092246-300-724530-67-4
Show more names
3-(N,N-DIETHYL)AMINO-4-METHOXY ACETANILIDE4-AcetylaMino-2-(bis(2-hydroxyethyl)aMino)anN-(2,4-difluorophenyl)carbamic acid ethyl ester4-ACETYLAMINO-2-(BIS(2-HYDROXYETHYL)AMINO)ANISOLE3-(N,N'-DIHYDROXYETHYL)AMINO-4-METHOXYACETANILIDE3-(N,N-DIHYDROXYETHYL)AMINO-4-METHOXY ACETANILIDE3μ-[Bis(2-hydroxyethyl)amino]-4μ-methoxyacetamide3'-[Di(2-hydroxyethyl)amino]-4'-methoxyacetanilide3'-[bis(2-hydroxyethyl)amino]-4'-methoxyacetamilde
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Melting point
- 93 · 93-97 °C(lit.)
- Boiling point
- 512.1 · 512.1±50.0 °C(Predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.27 · 14.27±0.10(Predicted)
- form
- solid
- InChI
- 1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)
- InChIKey
- UIQVGOZJVVAPOV-UHFFFAOYSA-N
- SMILES
- COc1ccc(NC(C)=O)cc1N(CCO)CCO
- CAS DataBase Reference
- 24530 · 24530-67-4(CAS DataBase Reference)
- FDA UNII
- 3 K3FE94V6X · 3K3FE94V6X
- EPA Substance Registry System
- 3 · Acetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]- (24530-67-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]-: ACTIVE
Suppliers22 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [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]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…