Cas no 107694-44-0 (Benzenemethanamine, 2,6-dipropyl-)
107694-44-0 structure
Product Name:Benzenemethanamine, 2,6-dipropyl-
CAS No:107694-44-0
MF:C13H21N
MW:191.3125436306
CID:3587721
PubChem ID:19835693
Update Time:2025-04-22
Benzenemethanamine, 2,6-dipropyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, 2,6-dipropyl-
- CHEMBL3139551
- SCHEMBL3934422
- DTXSID401306011
- 2,6-Dipropylbenzenemethanamine
- CHEMBL3114415
- BDBM50446739
- 107694-44-0
-
- Inchi： 1S/C13H21N/c1-3-6-11-8-5-9-12(7-4-2)13(11)10-14/h5,8-9H,3-4,6-7,10,14H2,1-2H3
- InChI Key： WRVDRSYYPFSEQZ-UHFFFAOYSA-N
- SMILES： NCC1C(=CC=CC=1CCC)CCC
Computed Properties
- Exact Mass: 191.167399674Da
- Monoisotopic Mass: 191.167399674Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 130
- 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: 3.5
- Topological Polar Surface Area: 26?2
Benzenemethanamine, 2,6-dipropyl- Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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