Cas no 6539-59-9 (Benzenemethanamine, N,N-dipentyl-)
6539-59-9 structure
Product Name:Benzenemethanamine, N,N-dipentyl-
CAS No:6539-59-9
MF:C17H29N
MW:247.418864965439
CID:399507
PubChem ID:12512889
Update Time:2025-04-19
Benzenemethanamine, N,N-dipentyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, N,N-dipentyl-
- N-benzyl-N-pentylpentan-1-amine
- 6539-59-9
- di(n-pentyl)benzylamine
- SCHEMBL9484533
- DTXSID40500933
-
- Inchi: 1S/C17H29N/c1-3-5-10-14-18(15-11-6-4-2)16-17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3
- InChI Key: GIEZONFVCOUCNY-UHFFFAOYSA-N
- SMILES: N(CC1C=CC=CC=1)(CCCCC)CCCCC
Computed Properties
- Exact Mass: 247.23017
- Monoisotopic Mass: 247.229999929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 162
- 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: 5.3
- Topological Polar Surface Area: 3.2?2
Experimental Properties
- PSA: 3.24
Benzenemethanamine, N,N-dipentyl- Related Literature
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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