Cas no 94094-47-0 (Benzenebutanoic acid,4-amino-, 1-methylethyl ester, hydrochloride (1:1))
94094-47-0 structure
Product Name:Benzenebutanoic acid,4-amino-, 1-methylethyl ester, hydrochloride (1:1)
CAS No:94094-47-0
MF:C13H20ClNO2
MW:257.75640296936
CID:810315
PubChem ID:3023512
Update Time:2025-04-19
Benzenebutanoic acid,4-amino-, 1-methylethyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenebutanoic acid,4-amino-, 1-methylethyl ester, hydrochloride (1:1)
- isopropyl 4-(4-aminophenyl)butyrate hydrochloride
- propan-2-yl 4-(4-aminophenyl)butanoate,hydrochloride
- DTXSID30240513
- EINECS 302-148-4
- Isopropyl 4-(4-aminophenyl)butyrate HCl
- NS00091704
- 94094-47-0
-
- Inchi： 1S/C13H19NO2.ClH/c1-10(2)16-13(15)5-3-4-11-6-8-12(14)9-7-11;/h6-10H,3-5,14H2,1-2H3;1H
- InChI Key： GESOPNCBJZFTBM-UHFFFAOYSA-N
- SMILES： Cl.O(C(C)C)C(CCCC1C=CC(=CC=1)N)=O
Computed Properties
- Exact Mass: 257.118
- Monoisotopic Mass: 257.118
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 208
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- Boiling Point: 346.3°Cat760mmHg
- Flash Point: 192.4°C
Benzenebutanoic acid,4-amino-, 1-methylethyl ester, hydrochloride (1:1) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
94094-47-0 (Benzenebutanoic acid,4-amino-, 1-methylethyl ester, hydrochloride (1:1)) Related Products
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