Cas no 21479-51-6 (2-Propenoic acid, 2-methyl-, 2-aminopropyl ester)
21479-51-6 structure
Product Name:2-Propenoic acid, 2-methyl-, 2-aminopropyl ester
CAS No:21479-51-6
MF:C7H13NO2
MW:143.183622121811
CID:1401354
PubChem ID:17864330
Update Time:2025-04-20
2-Propenoic acid, 2-methyl-, 2-aminopropyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 2-methyl-, 2-aminopropyl ester
- 2-aminopropyl 2-methylprop-2-enoate
- 21479-51-6
- SCHEMBL236331
- DTXSID60591383
-
- Inchi: 1S/C7H13NO2/c1-5(2)7(9)10-4-6(3)8/h6H,1,4,8H2,2-3H3
- InChI Key: QMQCYMRBZCWBNI-UHFFFAOYSA-N
- SMILES: O(C(C(=C)C)=O)CC(C)N
Computed Properties
- Exact Mass: 143.09469
- Monoisotopic Mass: 143.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 143
- 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: 0.7
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
2-Propenoic acid, 2-methyl-, 2-aminopropyl ester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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