Basic information
- CAS
54628-89-6- Standard SMILES
CC1(C)CC(C)(c2ccc(N)cc2)c2ccc(N)cc21- InChIKey
CGSKOGYKWHUSLC-UHFFFAOYSA-N- Molecular formula
- C18H22N2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.17829871
Names & identifiers
- Preferred name
- 1-(4-Aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amine
- IUPAC
- 1-(4-aminophenyl)-1,3,3-trimethyl-2H-inden-5-amine
- English name
- 1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amine
- Molecular formula
- C18H22N2
- Molecular weight
- 266.38
Names & synonyms
54628-89-61-(4-Aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amineEINECS 259-261-6RefChem:74405259-261-61-(4-Aminophenyl)-1,3,3-trimethyl-2,3-dihydro-1H-inden-5-amine1-(4-aminophenyl)-1,3,3-trimethyl-2H-inden-5-amineMFCD18971260SCHEMBL137367SCHEMBL29409547DTXSID30969898CGSKOGYKWHUSLC-UHFFFAOYSA-N
Show more names
1-(4-Aminophenyl)-1,3,3-trimethylindan-5-amine1,3,3-Trimethyl-1-(4-aminophenyl)indan-5-amine1-(4-Aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-amin1,3,3-Trimethyl-1-(4-aminophenyl)-2,3-dihydro-1H-indene-5-amine1-(4-Aminophenyl)-1,3,3-trimethyl-2,3-dihydro-1H-indene-5-amine1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-1H-inden-5-ami...1H-Inden-5-aMine,1-(4-aMinophenyl)-2,3-dihydro-1,3,3-triMethyl-
ECA628891H-Inden-5-amine, 1-(4-aminophenyl)-2,3-dihydro-1,3,3-trimethyl-AS-93705DB-345271NS00056278G636231-(4-Aminophenyl)-1,3,3-trimethyl-5-indanamine1-(4-aminophenyl)-1,3,3-trimethyl-indan-5-amine
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 432.3 · 432.3±45.0 °C(Predicted)
- Density
- 1.091 · 1.091±0.06 g/cm3(Predicted)
- pka
- 5.15 · 5.15±0.60(Predicted)
- InChI
- InChI=1S/C18H22N2/c1-17(2)11-18(3,12-4-6-13(19)7-5-12)15-9-8-14(20)10-16(15)17/h4-10H,11,19-20H2,1-3H3
- InChIKey
- CGSKOGYKWHUSLC-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(N)C=C2)(C)C2=C(C=C(N)C=C2)C(C)(C)C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers94 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海大然化学有限公司021-64478606 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京胜凯医药科技有限公司025-86182925 17749516701 · [email protected]
济南朗化化工有限公司0531-85906691 18660816586 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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