Di(2-acetoxy-n-propyl)amine

HCID 57979

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 100700-31-0
Standard SMILES: CC(CNCC(C)CC(=O)O)CC(=O)O
InChIKey: PHCVDJRANJTXAC-UHFFFAOYSA-N
Molecular formula: C10H19NO4
Average molar mass: 217.26 g/mol
Monoisotopic mass: 217.13140809

Names & identifiers

Preferred name: Di(2-acetoxy-n-propyl)amine
IUPAC: 4-[(3-carboxy-2-methylpropyl)amino]-3-methylbutanoic acid

Names & synonyms

100700-31-0Di(2-acetoxy-n-propyl)amine4,4'-Iminobis(3-methylbutyric acid)BUTYRIC ACID, 4,4'-IMINOBIS(3-METHYL-DTXSID609056883,3'-[Azanediylbis(methylene)]dibutanoic acid

Database identifiers

CAS: 100700-31-0
PubChem CID: 57979
DTXSID: DTXSID60905688
Nikkaji: J67.390K

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 86.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 195

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…