CAS 27333-47-7|1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]|1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]|1,3,3-trimethylspiro[indole-2,3'-naphtho[2,1-b]...

General Information

Structure

Molecular Formula

C₂₂H₂₀N₂O

Molecular Mass

328.407

Exact Mass

328.15756327

Charge

InChI

InChI=1S/C22H20N2O/c1-21(2)17-10-6-7-11-18(17)24(3)22(21)14-23-20-16-9-5-4-8-15(16)12-13-19(20)25-22/h4-14H,1-3H3

InChIKey

CQTRKDFIQFOAQV-UHFFFAOYSA-N

Canonic Smiles

CN1c2ccccc2C(C21C=Nc1c(O2)ccc2c1cccc2)(C)C

Isomeric Smiles

C12(N(c3c(C1(C)C)cccc3)C)Oc1c(N=C2)c2c(cc1)cccc2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.8698955

LogD (pH = 7.4)

5.8701186

Log P

5.8701215

Molar Refractivity

102.5105

Polarizability

39.540447

Polar Surface Area

24.83

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

Synonyms

1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]Photorome I1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine]1,3-二氢-1,3,3-三甲基螺[2H-吲哚-2,3′-[3H]萘并[2,1-b][1,4]噁嗪]

IUPAC Traditional name

1,3,3-trimethylspiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties

Product Information

Empirical Formula (Hill Notation)

C22H20N2O

Purity

≥98.0% (HPLC)

Physical Property

Melting Point

128-130 °C(lit.)

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

322547

Application
Photochromic dye.
Packaging
1 g in glass bottle
250 mg in glass bottle

Molecule Details

References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC name

1,3,3-trimethyl-1,3-dihydrospiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

Synonyms

IUPAC Traditional name

1,3,3-trimethylspiro[indole-2,3'-naphtho[2,1-b][1,4]oxazine]

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Properties

Product Information

Empirical Formula (Hill Notation)

C22H20N2O

Purity

≥98.0% (HPLC)

Physical Property

Melting Point

128-130 °C(lit.)

Molecule Details

Sigma Aldrich

322547

Application
Photochromic dye.
Packaging
1 g in glass bottle
250 mg in glass bottle

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Molecule

ID:122527