Cas no 7468-02-2 (4-(dimethylamino)-2-phenylbutanoic Acid)
7468-02-2 structure
Product Name:4-(dimethylamino)-2-phenylbutanoic Acid
CAS No:7468-02-2
MF:C12H17NO2
MW:207.268883466721
CID:979814
PubChem ID:344046
Update Time:2025-04-19
4-(dimethylamino)-2-phenylbutanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 4-(dimethylamino)-2-phenylbutanoic Acid
- SureCN10576544; AC1L7ZOB; 4-dimethylamino-2-phenyl-butyric acid; 4-Dimethylamino-2-phenyl-buttersaeure; 1-(dimethylamino)-3-carboxy-3-phenylpropane; NSC400722;
- NSC400722
- NSC-400722
- DTXSID90322228
- SCHEMBL10576544
- 7468-02-2
- 4-Dimethylamino-2-phenyl-butanoic acid
- DS-005326
-
- Inchi： 1S/C12H17NO2/c1-13(2)9-8-11(12(14)15)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
- InChI Key： QXPZGAJQZGMTCZ-UHFFFAOYSA-N
- SMILES： OC(C(C1C=CC=CC=1)CCN(C)C)=O
Computed Properties
- Exact Mass: 207.12601
- Monoisotopic Mass: 207.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- Density: 1.085
- Boiling Point: 329.1°C at 760 mmHg
- Flash Point: 152.8°C
- Refractive Index: 1.537
- PSA: 40.54
- LogP: 1.80650
4-(dimethylamino)-2-phenylbutanoic Acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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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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