Cas no 36574-66-0 (1-Propanaminium,3-amino-N-(carboxymethyl)-N,N-dimethyl-, inner salt)
36574-66-0 structure
Product Name:1-Propanaminium,3-amino-N-(carboxymethyl)-N,N-dimethyl-, inner salt
CAS No:36574-66-0
MF:C7H16N2O2
MW:160.214141845703
CID:296348
PubChem ID:57681455
Update Time:2025-04-19
1-Propanaminium,3-amino-N-(carboxymethyl)-N,N-dimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanaminium,3-amino-N-(carboxymethyl)-N,N-dimethyl-, inner salt
- (3-Aminopropyl)dimethylammonioacetate
- [(3-Aminopropyl)dimethylamino]acetic acid betaine
- CAB 35
- 36574-66-0
- UNII-F8960457Q8
- ((3-Aminopropyl)dimethylamino)acetic acid betaine
- Q27277802
- F8960457Q8
- Synthecol cab
- Hiampho PB
-
- Inchi： 1S/C7H16N2O2/c1-9(2,5-3-4-8)6-7(10)11/h3-6,8H2,1-2H3
- InChI Key： LJXQDBPJFICXJU-UHFFFAOYSA-N
- SMILES： [O-]C(C[N+](C)(C)CCCN)=O
Computed Properties
- Exact Mass: 160.121177757g/mol
- Monoisotopic Mass: 160.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.3
- Topological Polar Surface Area: 66.2?2
1-Propanaminium,3-amino-N-(carboxymethyl)-N,N-dimethyl-, inner salt Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
36574-66-0 (1-Propanaminium,3-amino-N-(carboxymethyl)-N,N-dimethyl-, inner salt) Related Products
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