1-Phthalanpropylamine, N,N,3,3-tetramethyl-, oxalate

HCID 85696

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Basic information

CAS: 14200-22-7
Standard SMILES: CN(C)CCCC1OC(C)(C)c2ccccc21.O=C(O)C(=O)O
InChIKey: CKOSQUYTLIODNV-UHFFFAOYSA-N
Molecular formula: C17H25NO5
Average molar mass: 323.4 g/mol
Monoisotopic mass: 323.1732729

Names & identifiers

Preferred name: 1-Phthalanpropylamine, N,N,3,3-tetramethyl-, oxalate
IUPAC: 3-(3,3-dimethyl-1H-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine;oxalic acid

Names & synonyms

1-Phthalanpropylamine, N,N,3,3-tetramethyl-, oxalate14200-22-7RefChem:1056357LU 3-028DTXSID60931301Phthalan, 3,3-dimethyl-1-(3-dimethylaminopropyl)-, oxalateOxalic acid--3-(3,3-dimethyl-1,3-dihydro-2-benzofuran-1-yl)-N,N-dimethylpropan-1-amine (1/1)

Database identifiers

CAS: 14200-22-7
PubChem CID: 85696
DTXSID: DTXSID60931301

Properties

Computed structural properties

Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 321

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