CAS 68930-97-2 4-amino-N-butylphthalimide (HCID 328977)

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Basic information

CAS: 68930-97-2
Standard SMILES: CCCCN1C(=O)c2ccc(N)cc2C1=O
InChIKey: HCVCNKOLEMUCHT-UHFFFAOYSA-N
Molecular formula: C12H14N2O2
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.10552769

Names & identifiers

Preferred name: 4-amino-N-butylphthalimide
IUPAC: 5-amino-2-butylisoindole-1,3-dione
English name: 4-AMINO-N-BUTYL PHTHALIMIDINE
Molecular formula: C12H14N2O2
Molecular weight: 218.25

Names & synonyms

68930-97-24-amino-N-butylphthalimideDTXSID60316997RefChem:290095DTXCID20268120HCVCNKOLEMUCHT-UHFFFAOYSA-N5-Amino-2-butylisoindoline-1,3-dione5-amino-2-butylisoindole-1,3-dione4-AMINO-N-BUTYL PHTHALIMIDINE5-amino-2-butyl-1H-isoindole-1,3(2H)-dione5-amino-2-butyl-2,3-dihydro-1H-isoindole-1,3-dioneMFCD09751309

Show more names

1H-Isoindole-1,3(2H)-dione, 5-amino-2-butyl-TIANFU-CHEM- 5-Amino-2-butyl-isoindole-1,3-dione 68930-97-2

NSC309963N-butyl-4-aminophthalimideSCHEMBL2651666ALBB-031776AKOS000246816NSC-309963LS-11572SY356401

Database identifiers

CAS: 68930-97-2
PubChem CID: 328977
DTXSID: DTXSID60316997
Nikkaji: J1.027.811B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 63.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 303

Physicochemical properties

Boiling point: 393.1 · 393.1±25.0 °C(Predicted)
Density: 1.243 · 1.243±0.06 g/cm3(Predicted)
pka: 0.84 · 0.84±0.20(Predicted)
InChI: InChI=1S/C12H14N2O2/c1-2-3-6-14-11(15)9-5-4-8(13)7-10(9)12(14)16/h4-5,7H,2-3,6,13H2,1H3
InChIKey: HCVCNKOLEMUCHT-UHFFFAOYSA-N
SMILES: C1(=O)C2=C(C=C(N)C=C2)C(=O)N1CCCC