beta-Alanine, N-(3-(isooctyloxy)propyl)-
Basic information
- CAS
81611-35-0- Standard SMILES
CC(C)CCCCCOCCCNCCC(=O)O- InChIKey
DUBYGOJNAKZDEH-UHFFFAOYSA-N- Molecular formula
- C14H29NO3
- Average molar mass
- 259.38 g/mol
- Monoisotopic mass
- 259.21474379
Names & identifiers
- Preferred name
- beta-Alanine, N-(3-(isooctyloxy)propyl)-
- IUPAC
- 3-[3-(6-methylheptoxy)propylamino]propanoic acid
Names & synonyms
N-(3-(Isooctyloxy)propyl)-beta-alaninebeta-Alanine, N-(3-(isooctyloxy)propyl)-.beta.-Alanine, N-[3-(isooctyloxy)propyl]-DTXSID8072871N-[3-(Isooctyloxy)propyl]-beta-alanineRefChem:328918DTXCID904822981611-35-0DUBYGOJNAKZDEH-UHFFFAOYSA-NN-{3-[(6-Methylheptyl)oxy]propyl}-beta-alanine
Database identifiers
- CAS
81611-35-0- PubChem CID
- 3086136
- DTXSID
DTXSID8072871- Nikkaji
- J453.533B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 195
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-Alanine, N-[3-(isooctyloxy)propyl]-: INACTIVE
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Related reactions
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Compound notes
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