Cas no 25299-39-2 (2-Propenal,3-(phenylamino)-)
2-Propenal,3-(phenylamino)- structure
Product Name:2-Propenal,3-(phenylamino)-
CAS No:25299-39-2
MF:C9H9NO
MW:147.173862218857
CID:284229
PubChem ID:5372952
Update Time:2025-04-19
2-Propenal,3-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenal,3-(phenylamino)-
- 3-anilinoprop-2-enal
- (6-methanesulfonyl-pyridazin-3-yl)-phenyl-amine
- 3-Anilino-6-methylsulfonyl-pyridazin
- 3-Anilino-acrylaldehyd
- 3-anilino-acrylaldehyde
- 3-anilino-propenal
- 3-Phenylimino-propionaldehyd
- 6-(methylsulfonyl)-n-phenylpyridazin-3-amine
- AC1L5QLY
- AC1Q6UYQ
- AR-1H0061
- Malonaldehyd-mono-phenylimin
- NCIOpen2_004697
- NSC79071
- Oprea1_823040
- (E)-3-anilinoprop-2-enal
- (2E)-3-Anilino-2-propenal #
- 2-Propenal, 3-phenylamino-
- NSC155557
- AKOS006374174
- NSC-155557
- 3-anilinoacrolein
- 25299-39-2
- SCHEMBL138932
- QVWWPUHSJYHELM-QPJJXVBHSA-N
-
- Inchi： 1S/C9H9NO/c11-8-4-7-10-9-5-2-1-3-6-9/h1-8,10H/b7-4+
- InChI Key： QVWWPUHSJYHELM-QPJJXVBHSA-N
- SMILES： O=C/C=C/NC1C=CC=CC=1
Computed Properties
- Exact Mass: 147.06847
- Monoisotopic Mass: 147.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 137
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.1
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 1.107
- Boiling Point: 265.1°C at 760 mmHg
- Flash Point: 118.5°C
- Refractive Index: 1.598
- PSA: 29.1
- LogP: 1.88410
2-Propenal,3-(phenylamino)- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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