Basic information
- CAS
6961-46-2- Standard SMILES
O=C(C=Cc1ccccc1)NCCO- InChIKey
OSCTXCOERRNGLW-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Overview
N-(2-hydroxyethyl)-3-phenylprop-2-enimidic acid has been reported in Erythrophleum chlorostachys with data available.
Names & identifiers
- Preferred name
- N-(2-hydroxyethyl)-3-phenylprop-2-enamide
- IUPAC
- N-(2-hydroxyethyl)-3-phenylprop-2-enamide
- English name
- idrocilamide
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
N-(2-hydroxyethyl)-3-phenylprop-2-enamideN-(2-Hydroxyethyl)-3-phenylpropenamideNCIOpen2_000059CBDivE_015640n-(2-hydroxyethyl) cinnamamideorb1700364SCHEMBL1171237KBA24161DS-017416NS00036903Q682532LCB-29
Show more names
TalvalSrilanebroliteneidrocilamideidrocilamide USP/EP/BPN-(2-Hydroxyethyl)-3-phenyl-2-propenamide2-Propenamide, N-(2-hydroxyethyl)-3-phenyl-(E)-N-(2-hydroxyethyl)-3-phenylprop-2-enamide
Database identifiers
- CAS
6961-46-2- PubChem CID
- 23397
- DTXSID
DTXSID8046404
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 100 · 100-102°
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly, Sonicated), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 6 C816LUB1O · 6C816LUB1O
- ATC code
- 2 AX05 · M02AX05
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 50 orally · LD50 orally in mice, rats: >2950, >3000 mg/kg (Grand)
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
- Toxicity
- LD50 orally in mice, rats: >2950, >3000 mg/kg (Grand)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBrolitene was studied as one of palmitoylethanolamide derivatives as anticonvulsants and antidepressants.
Suppliers46 total
武汉鹏垒生物科技有限公司15871464247 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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