Basic information
- CAS
102187-19-9- Standard SMILES
CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)c(C)c1- InChIKey
ZYKBEIDPRRYKKQ-UHFFFAOYSA-N- Molecular formula
- C28H27N3O2
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.21032711
Names & identifiers
- Preferred name
- 2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine
- IUPAC
- 4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide
- English name
- 2-PHENYLCARBAMOYL-1,4-NAPHTHOQUINONE-4-(4-DIETHYLAMINO-2-METHYLPHENYL)IMINE
- Molecular formula
- C28H27N3O2
- Molecular weight
- 437.53
Names & synonyms
102187-19-92-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imineIndoaniline dye4-((4-(Diethylamino)-2-methylphenyl)imino)-1-oxo-N-phenyl-1,4-dihydronaphthalene-2-carboxamide4-[4-(diethylamino)-2-methylphenyl]imino-1-oxo-N-phenylnaphthalene-2-carboxamide2-Naphthalenecarboxamide, 4-[[4-(diethylamino)-2-methylphenyl]imino]-1,4-dihydro-1-oxo-N-phenyl-MFCD001915714-(4-Diethylamino-2-methylphenylimino)-1-oxo-N-phenyl-1,4-dihydro-2-naphthalenecarboxamideDTXSID20348310ZYKBEIDPRRYKKQ-UHFFFAOYSA-NZYKBEIDPRRYKKQ-URGPHPNLSA-NC28H27N3O2
Show more names
2-Phenylacebamoyl-1,4-naphthoquinone-4-(4-diehtylamino-2-methylphenyl)imine2-Phenylcarbamoyl-1,4-naphthoquinone-4-(4-diethylamino-2-methylphenyl)imine>N-Phenyl-1,4-dihydro-1-oxo-4-(4-diethylamino-2-methylphenylimino)-2-naphthamide2-PHENYLCARBAMOYL-1,4-NAPHTHOQUINONE-4-(4-DIETHYLAMINO-2-METHYLPHENYL)IMINE 98+%3-PHENYLCARBAMOYL-N-[4'-(N,N-DIETHYLAMINO)-2'-METHYLPHENYL]-1,4-NAPHTHOQUINONIMINE
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 763
Physicochemical properties
- Melting point
- 192 °C · 192°C
- Boiling point
- 643.1 · 643.1±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 12.27 · 12.27±0.70(Predicted)
- form
- powder to crystal
- color
- Dark green to Dark blue to Black
- CAS DataBase Reference
- 102187 · 102187-19-9
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- HS Code
- 2925.29 · 2925.29.6000
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
- hs_code
- 2925.29.6000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Suppliers15 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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