Basic information
- CAS
82894-84-6- Standard SMILES
CC1(C)NC(C)(C)c2ccccc21- InChIKey
ZAHPSFHHFNVYAR-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609954
Names & identifiers
- Preferred name
- 1,1,3,3-Tetramethylisoindoline
- IUPAC
- 1,1,3,3-tetramethyl-2H-isoindole
- English name
- 1H-Isoindole, 2,3-dihydro-1,1,3,3-tetraMethyl-
- Molecular formula
- C12H17N
- Molecular weight
- 175.27
Names & synonyms
1,1,3,3-tetramethylisoindoline82894-84-6DTXSID203488501H-isoindole, 2,3-dihydro-1,1,3,3-tetramethyl-RefChem:213313DTXCID50299922InChI=1/C12H17N/c1-11(2)9-7-5-6-8-10(9)12(3,4)13-11/h5-8,13H,1-4H1,1,3,3-tetramethyl-2H-isoindole1,1,3,3-tetramethyl-2,3-dihydro-1H-isoindoleSCHEMBL688036SCHEMBL2191872CHEMBL3736031
Show more names
ZAHPSFHHFNVYAR-UHFFFAOYSA-NMFCD18449909SB65523SY461607DB-336892H6471810.14272/ZAHPSFHHFNVYAR-UHFFFAOYSA-N.1F904810
Database identifiers
- CAS
82894-84-6- PubChem CID
- 641027
- DTXSID
DTXSID20348850- ChEMBL
CHEMBL3736031- Nikkaji
- J1.055.028I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 36 · 36-38 °C(Solv: methanol (67-56-1); water (7732-18-5))
- Boiling point
- 235.4 · 235.4±9.0 °C(Predicted)
- Density
- 0.915 · 0.915±0.06 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.60(Predicted)
Chemistry & industry
Suppliers8 total
广州凯途化学有限公司18933936954 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
张家界恒康生物药业有限公司13975184000 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
Related reactions
8 records
Compound notes
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