Cas no 100522-18-7 (Benzenemethanamine,4-(1-ethylpropoxy)-a-methyl-)
100522-18-7 structure
Product Name:Benzenemethanamine,4-(1-ethylpropoxy)-a-methyl-
CAS No:100522-18-7
MF:C13H21NO
MW:207.311943769455
CID:155050
PubChem ID:57936
Update Time:2025-04-19
Benzenemethanamine,4-(1-ethylpropoxy)-a-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,4-(1-ethylpropoxy)-a-methyl-
- Benzylamine,p-(1-ethylpropoxy)-a-methyl- (6CI)
- 1-(4-pentan-3-yloxyphenyl)ethanamine
- BENZYLAMINE, p-(1-ETHYLPROPOXY)-alpha-METHYL-
- 100522-18-7
- p-(1-Ethylpropoxy)-alpha-methylbenzylamine
- 1-{4-[(Pentan-3-yl)oxy]phenyl}ethan-1-amine
- AKOS018643391
- DTXSID60905567
-
- Inchi： 1S/C13H21NO/c1-4-12(5-2)15-13-8-6-11(7-9-13)10(3)14/h6-10,12H,4-5,14H2,1-3H3
- InChI Key： BUFYHWMNMNEQOW-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)C(C)N)C(CC)CC
Computed Properties
- Exact Mass: 207.16243
- Monoisotopic Mass: 207.162314
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 160
- 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: 35.2
- XLogP3: 3
Experimental Properties
- Density: 0.954
- Boiling Point: 303.7°Cat760mmHg
- Flash Point: 126.9°C
- Refractive Index: 1.506
- PSA: 35.25
- LogP: 3.97400
Benzenemethanamine,4-(1-ethylpropoxy)-a-methyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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