Basic information
- CAS
71042-71-2- Standard SMILES
CCCCOC(=O)CCN(CCCO)CCC(=O)OCCCC- InChIKey
ANVCGYUJBUYFDC-UHFFFAOYSA-N- Molecular formula
- C17H33NO5
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.23587316
Names & identifiers
- Preferred name
- beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester
- IUPAC
- butyl 3-[(3-butoxy-3-oxopropyl)-(3-hydroxypropyl)amino]propanoate
- English name
- N-(3-Butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-β-alanine butyl ester
- Molecular formula
- C17H33NO5
- Molecular weight
- 331.44762
Names & synonyms
71042-71-2beta-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl esterDTXSID0072227.beta.-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl esterDibutyl N-(3-hydroxypropyl)imino-3,3'-dipropionateRefChem:567179DTXCID7046881ANVCGYUJBUYFDC-UHFFFAOYSA-NDibutyl 3,3'-[(3-hydroxypropyl)azanediyl]dipropanoateN-(3-Butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-β-alanine butyl ester
Database identifiers
- CAS
71042-71-2- PubChem CID
- 116990
- DTXSID
DTXSID0072227- Nikkaji
- J446.656J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- EPA Substance Registry System
- .beta.-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester (71042-71-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information.beta.-Alanine, N-(3-butoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, butyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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