Cas no 223562-47-8 (Benzenamine,4-(1-propyn-1-yl)-)
223562-47-8 structure
Product Name:Benzenamine,4-(1-propyn-1-yl)-
CAS No:223562-47-8
MF:C9H9N
MW:131.174462080002
CID:244577
PubChem ID:45079153
Update Time:2025-04-19
Benzenamine,4-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,4-(1-propyn-1-yl)-
- 4-prop-1-ynylaniline
- 4-Prop-1-ynylbenzenamine
- Benzenamine,4-(1-propynyl)- (9CI)
- DTXSID10663660
- Benzenamine,4-(1-propynyl)-(9ci)
- XEYHJKINFQTLRC-UHFFFAOYSA-N
- 223562-47-8
- 4-prop-1-ynylphenylamine
- SCHEMBL3122121
- AKOS006342556
- 4-(1-propynyl)benzenamine
- 4-(Prop-1-yn-1-yl)aniline
-
- Inchi： 1S/C9H9N/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,10H2,1H3
- InChI Key： XEYHJKINFQTLRC-UHFFFAOYSA-N
- SMILES： NC1C=CC(C#CC)=CC=1
Computed Properties
- Exact Mass: 131.07357
- Monoisotopic Mass: 131.073
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 26A^2
Experimental Properties
- PSA: 26.02
Benzenamine,4-(1-propyn-1-yl)- Related Literature
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
223562-47-8 (Benzenamine,4-(1-propyn-1-yl)-) Related Products
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