Cas no 64532-04-3 (1-BUTANAMINIUM, 4-AMINO-2-HYDROXY-N,N,N-TRIMETHYL-4-OXO-, (R)-)
64532-04-3 structure
Product Name:1-BUTANAMINIUM, 4-AMINO-2-HYDROXY-N,N,N-TRIMETHYL-4-OXO-, (R)-
CAS No:64532-04-3
MF:C7H17N2O2
MW:161.222081899643
CID:3199111
PubChem ID:11701090
Update Time:2025-04-21
1-BUTANAMINIUM, 4-AMINO-2-HYDROXY-N,N,N-TRIMETHYL-4-OXO-, (R)- Chemical and Physical Properties
Names and Identifiers
-
- 1-BUTANAMINIUM, 4-AMINO-2-HYDROXY-N,N,N-TRIMETHYL-4-OXO-, (R)-
- 64532-04-3
- (2R)-4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium
- Q27102241
- (R)-carnitinamide
- L-Carnitinamide
- CHEBI:17159
- SCHEMBL6667320
- 1-Butanaminium, 4-amino-2-hydroxy-N,N,N-trimethyl-4-oxo-, (2R)-
- UNII-CRQ6QMP3VY
- (2R)-4-Amino-2-hydroxy-N,N,N-trimethyl-4-oxo-1-butanaminium
- carnitinamide
- [(2R)-4-amino-2-hydroxy-4-oxobutyl]-trimethylazanium
- C02290
- CRQ6QMP3VY
-
- Inchi: 1S/C7H16N2O2/c1-9(2,3)5-6(10)4-7(8)11/h6,10H,4-5H2,1-3H3,(H-,8,11)/p+1/t6-/m1/s1
- InChI Key: KWIXGIMKELMNGH-ZCFIWIBFSA-O
- SMILES: O[C@H](CC(N)=O)C[N+](C)(C)C
Computed Properties
- Exact Mass: 161.129002789Da
- Monoisotopic Mass: 161.129002789Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.5
- Topological Polar Surface Area: 63.3?2
1-BUTANAMINIUM, 4-AMINO-2-HYDROXY-N,N,N-TRIMETHYL-4-OXO-, (R)- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
64532-04-3 (1-BUTANAMINIUM, 4-AMINO-2-HYDROXY-N,N,N-TRIMETHYL-4-OXO-, (R)-) Related Products
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