Cas no 402750-74-7 ((1S)-1-(4-Methoxyphenyl)butan-1-amine)
402750-74-7 structure
Product Name:(1S)-1-(4-Methoxyphenyl)butan-1-amine
CAS No:402750-74-7
MF:C11H17NO
MW:179.258783102036
CID:4760716
Update Time:2023-08-16
(1S)-1-(4-Methoxyphenyl)butan-1-amine Chemical and Physical Properties
Names and Identifiers
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- (S)-1-(4-Methoxyphenyl)butan-1-amine
- (1S)-1-(4-Methoxyphenyl)butan-1-amine
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- Inchi： 1S/C11H17NO/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8,11H,3-4,12H2,1-2H3/t11-/m0/s1
- InChI Key： YFIJHKACBGRMFQ-NSHDSACASA-N
- SMILES： O(C)C1C=CC(=CC=1)[C@H](CCC)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 130
- XLogP3: 2
- Topological Polar Surface Area: 35.2
(1S)-1-(4-Methoxyphenyl)butan-1-amine Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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