Cas no 106989-59-7 (Benzenemethanamine,4-(heptyloxy)-a-methyl-)
106989-59-7 structure
Product Name:Benzenemethanamine,4-(heptyloxy)-a-methyl-
CAS No:106989-59-7
MF:C15H25NO
MW:235.365104436874
CID:171261
PubChem ID:60178
Update Time:2025-04-19
Benzenemethanamine,4-(heptyloxy)-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,4-(heptyloxy)-a-methyl-
- 1-(4-heptoxyphenyl)ethanamine
- BENZYLAMINE, p-(HEPTYLOXY)-alpha-METHYL-
- SCHEMBL8501526
- p-(Heptyloxy)-alpha-methylbenzylamine
- 1-[4-(Heptyloxy)phenyl]ethan-1-amine
- AKOS005289293
- DTXSID30910204
- 106989-59-7
-
- Inchi： 1S/C15H25NO/c1-3-4-5-6-7-12-17-15-10-8-14(9-11-15)13(2)16/h8-11,13H,3-7,12,16H2,1-2H3
- InChI Key： QVKVIGRBJWHCGH-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)C(C)N)CCCCCCC
Computed Properties
- Exact Mass: 235.19375
- Monoisotopic Mass: 235.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.2A^2
- XLogP3: 4
Experimental Properties
- Density: 0.942
- Boiling Point: 341.3°Cat760mmHg
- Flash Point: 146.9°C
- Refractive Index: 1.502
- PSA: 35.25
- LogP: 4.75580
Benzenemethanamine,4-(heptyloxy)-a-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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