Basic information
- CAS
7236-47-7- Standard SMILES
CC(=Cc1ccccc1)CC(N)=O- InChIKey
KAJZGRFYZKWYDX-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 3-Methyl-4-phenyl-3-butenamide
- IUPAC
- 3-methyl-4-phenylbut-3-enamide
- English name
- 3-BENZAL-N-BUTYRAMIDE
- Molecular formula
- C11H13NO
- Molecular weight
- 175.23
Names & synonyms
benzalamide3-METHYL-4-PHENYL-3-BUTENAMIDE7236-47-7beta-Benzalbutyramidelipidemollipobeta500AC5XYXODTXSID70871941RefChem:94782DTXCID20819550230-637-13-Methyl-4-phenylbut-3-enamide
Show more names
b-Benzalbutyramideβ-Benzalbutyramide3-Benzalbutyramide3-Benzalbutyramide>beta-benzalbutyramide3-BENZAL-N-BUTYRAMIDE3-Benzylidenebutyramidebeta-Benzal-N-butyramide]3-BENZYLIDENE-N-BUTYRAMIDE
3-Butenamide, 3-methyl-4-phenyl-KATA-LIPIDUNII-500AC5XYXOBENZALAMIDE [MART.]SCHEMBL309269.BETA.-BENZALBUTYRAMIDEKAJZGRFYZKWYDX-UHFFFAOYSA-N3-methyl-4-phenyl-but-3-enamide
Database identifiers
- CAS
7236-47-7- PubChem CID
- 23660
- DTXSID
DTXSID70871941- UNII
- 500AC5XYXO
- EC Number
- 230-637-1
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 132 °C · 132 °C
- Boiling point
- 306.53 °C · 306.53°C (rough estimate)
- Density
- 1.0582 · 1.0582 (rough estimate)
- refractive index
- 1.525 · 1.5250 (estimate)
- solubility
- almost transparency in Methanol
- form
- powder to crystaline
- color
- White to Almost white
- CAS DataBase Reference
- 7236 · 7236-47-7
- FDA UNII
- 500 AC5XYXO · 500AC5XYXO
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2924297099 · 2924297099
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
- hs_code
- 2924297099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers19 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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