Cas no 50697-88-6 (2-Propenoic acid, 3-amino-3-ethoxy-, 1-methylethyl ester)
50697-88-6 structure
Product Name:2-Propenoic acid, 3-amino-3-ethoxy-, 1-methylethyl ester
CAS No:50697-88-6
MF:C8H15NO3
MW:173.209602594376
CID:364253
PubChem ID:71366472
Update Time:2025-04-19
2-Propenoic acid, 3-amino-3-ethoxy-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-amino-3-ethoxy-, 1-methylethyl ester
- propan-2-yl 3-amino-3-ethoxyprop-2-enoate
- 3-amino-3-ethoxyacrylic acid isopropyl ester
- DTXSID90789832
- BQMJBOIKKOMWEV-UHFFFAOYSA-N
- SCHEMBL11825328
- 50697-88-6
-
- Inchi： 1S/C8H15NO3/c1-4-11-7(9)5-8(10)12-6(2)3/h5-6H,4,9H2,1-3H3
- InChI Key： BQMJBOIKKOMWEV-UHFFFAOYSA-N
- SMILES： O(C(C=C(N)OCC)=O)C(C)C
Computed Properties
- Exact Mass: 173.10525
- Monoisotopic Mass: 173.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 175
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.6
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.55
2-Propenoic acid, 3-amino-3-ethoxy-, 1-methylethyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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