Basic information
- CAS
1485-92-3- Standard SMILES
CN1c2ccccc2C(C)(C)C12C=Cc1ccccc1O2- InChIKey
CZTCZDFGLUDUQP-UHFFFAOYSA-N- Molecular formula
- C19H19NO
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.14666423
Names & identifiers
- Preferred name
- 1,3,3-Trimethylindolinobenzospiropyran
- IUPAC
- 1',3',3'-trimethylspiro[chromene-2,2'-indole]
- English name
- 1,3,3-Trimethylindolinobenzopyrylospiran
- Molecular formula
- C19H19NO
- Molecular weight
- 277.36
Names & synonyms
1485-92-31,3,3-TrimethylindolinobenzopyrylospiranSpiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-1,3,3-TrimethylindolinobenzospiropyranNSC 206174DTXSID50883683Spiro(2H-1-benzopyran-2,2'-(2H)indole), 1',3'-dihydro-1',3',3'-trimethyl-RefChem:216757DTXCID101023187CZTCZDFGLUDUQP-UHFFFAOYSA-N1',3',3'-trimethylspiro[chromene-2,2'-indoline]1',3',3'-trimethylspiro[chromene-2,2'-indole]
Show more names
1’,3’-dihydro-1’,3’,3’-trimethyl-spiro[2h-1-benzopyran-2’-[2h]indole]Trimethylindolinobenzopyrylospiran1,3,3-Trimethylindolinobenzopyrylospirane1',3',3'-Trimethylspiro[chromene-2,2'-indoline1,3,3-Trimethylspiro[indoline-2,2'-[2H-1]benzopyran]1,3,3-Trimethylspiro[indoline-2,2'-[2H][1]benzopyran]1',3',3'-TRIMETHYLSPIRO[1(2H)-BENZOPYRAN-2,2'-INDOLINE]
MFCD00059174Trimethylindolinobenzopyrylospiran; 98%1,3,3-Trimethylindolinobenzopyrylspiran1,3,3-Trimethylbenzoindolinopyranospiran1',3',3'-trimethyl-1',3'-dihydrospiro[chromene-2,2'-indole]1,3,3-Trimethylindolinobenzopyrylospiran [Photochromic Compound]Spiro(2H-1-benzopyran-2,2'-indoline), 1',3',3'-trimethyl-1 inverted exclamation mark ,3 inverted exclamation mark ,3 inverted exclamation mark -Trimethylspiro[Chromene-2,2 inverted exclamation mark -Indoline]
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Melting point
- 92 °C · 92 °C
- Boiling point
- 408.7 · 408.7±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- solubility
- slightly sol. in Methanol
- form
- powder to crystal
- pka
- 3.39 · 3.39±0.40(Predicted)
- color
- White to Light yellow
- EPA Substance Registry System
- 2 H-1-benzopyran-2,2'-[2H]indole], · Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl- (1485-92-3)
- TSCA
- TSCA listed
- HS Code
- 2934.99 · 2934.99.4400
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
- hs_code
- 2934.99.4400
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSpiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers44 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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