Basic information
- CAS
19026-83-6- Standard SMILES
C=CC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
PBTMWGMSOKDCRP-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- N-(Adamantan-1-yl)prop-2-enimidic acid
- IUPAC
- N-(1-adamantyl)prop-2-enamide
- English name
- 2-Propenamide,N-tricyclo[3.3.1.13,7]dec-1-yl-
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
DTXSID209682995354-87-0N-(Adamantan-1-yl)prop-2-enimidic acidRefChem:1091391DTXCID001395884N-(1-adamantyl)acrylamide19026-83-6N-(ADAMANTAN-1-YL)PROP-2-ENAMIDEN-(1-adamantyl)prop-2-enamideMFCD00167794n-adamantylacrylamideNSC169441
Show more names
Wizard Monomer(R) ADCBMicro_020312N-(Adamantan-1-yl)acrylamideSCHEMBL10702052-PROPENAMIDE,N-TRICYCLO[3.3.1.13,7]DEC-1-YL-PBTMWGMSOKDCRP-UHFFFAOYSA-NALBB-035164CCG-7172
Database identifiers
- CAS
19026-83-6、5354-87-0- PubChem CID
- 284637
- DTXSID
DTXSID20968299- Nikkaji
- J799.985B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 367.6 · 367.6±15.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 14.68 · 14.68±0.20(Predicted)
Chemistry & industry
Suppliers8 total
杭州噻伏新材料科技有限公司0571-86113725 15372021306
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Aladdin Scientific[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
9 records
Compound notes
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