Cas no 4950-92-9 (Benzenemethanamine,4-(heptyloxy)-)
4950-92-9 structure
Product Name:Benzenemethanamine,4-(heptyloxy)-
CAS No:4950-92-9
MF:C14H23NO
MW:221.338524103165
CID:326343
PubChem ID:15115534
Update Time:2023-10-31
Benzenemethanamine,4-(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine,4-(heptyloxy)-
- (4-heptoxyphenyl)methanamine
- 4-HEPTYLOXY-BENZYLAMINE
- 4-(heptyloxy)benzylamine
- SCHEMBL5991663
- FOARPAGPCDSKQF-UHFFFAOYSA-N
- 1-[4-(Heptyloxy)phenyl]methanamine
- p-heptyloxybenzylamine
- 4950-92-9
- DTXSID70568465
-
- MDL： MFCD07786656
- Inchi： 1S/C14H23NO/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10H,2-6,11-12,15H2,1H3
- InChI Key： FOARPAGPCDSKQF-UHFFFAOYSA-N
- SMILES： O(C1C=CC(CN)=CC=1)CCCCCCC
Computed Properties
- Exact Mass: 221.177964357g/mol
- Monoisotopic Mass: 221.177964357g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 153
- 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: 3.6
- Topological Polar Surface Area: 35.2?2
Benzenemethanamine,4-(heptyloxy)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
4950-92-9 (Benzenemethanamine,4-(heptyloxy)-) Related Products
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