Cas no 5422-37-7 (2-hydroxy-N-(3-hydroxypropyl)-N-methylpropanamide)
5422-37-7 structure
Product Name:2-hydroxy-N-(3-hydroxypropyl)-N-methylpropanamide
CAS No:5422-37-7
MF:C7H15NO3
MW:161.198902368546
CID:940108
PubChem ID:223423
Update Time:2025-04-19
2-hydroxy-N-(3-hydroxypropyl)-N-methylpropanamide Chemical and Physical Properties
Names and Identifiers
-
- 2-hydroxy-N-(3-hydroxypropyl)-N-methylpropanamide
- 5422-37-7
- NSC11073
- NSC-11073
-
- Inchi： 1S/C7H15NO3/c1-6(10)7(11)8(2)4-3-5-9/h6,9-10H,3-5H2,1-2H3
- InChI Key： IXOBDBMMZWSNFV-UHFFFAOYSA-N
- SMILES： OC(C)C(N(C)CCCO)=O
Computed Properties
- Exact Mass: 161.10525
- Monoisotopic Mass: 161.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 127
- 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: -0.9
- Topological Polar Surface Area: 60.8?2
Experimental Properties
- Density: 1.12
- Boiling Point: 315.9°C at 760 mmHg
- Flash Point: 144.9°C
- Refractive Index: 1.485
- PSA: 60.77
- LogP: -0.79200
2-hydroxy-N-(3-hydroxypropyl)-N-methylpropanamide Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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