Cas no 98992-44-0 (2,2-dimethyl-N-(3-phenoxybenzyl)propan-1-amine)
98992-44-0 structure
Product Name:2,2-dimethyl-N-(3-phenoxybenzyl)propan-1-amine
CAS No:98992-44-0
MF:C18H23NO
MW:269.381325006485
CID:1991712
PubChem ID:179199
Update Time:2025-04-21
2,2-dimethyl-N-(3-phenoxybenzyl)propan-1-amine Chemical and Physical Properties
Names and Identifiers
-
- 2,2-dimethyl-N-(3-phenoxybenzyl)propan-1-amine
- 2,2-dimethyl-N-[(3-phenoxyphenyl)methyl]propan-1-amine
- 98992-44-0
- DTXSID30243923
- 2,2-Dimethyl-N-((3-phenoxyphenyl)methyl)propan-1-amine
- AKOS012759941
-
- Inchi： 1S/C18H23NO/c1-18(2,3)14-19-13-15-8-7-11-17(12-15)20-16-9-5-4-6-10-16/h4-12,19H,13-14H2,1-3H3
- InChI Key： DDFRMAYDQKTBFV-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1=CC=CC(=C1)CNCC(C)(C)C
Computed Properties
- Exact Mass: 269.178
- Monoisotopic Mass: 269.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 265
- 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: 4.5
- Topological Polar Surface Area: 21.3?2
Experimental Properties
- Density: 1.006
- Boiling Point: 364.9°C at 760 mmHg
- Flash Point: 158.7°C
- Refractive Index: 1.542
2,2-dimethyl-N-(3-phenoxybenzyl)propan-1-amine Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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