Npc313979
Also known as Lissamine Green, 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate, verde lisamina
Key facts
What buyers check first
- CAS number
- 11096-63-2
- Formula
- C37H34ClN2O6S2-
- Molar mass
- 702.27 g/mol
- HS code
- 292149
- Category
- Aromatic building blocks
What is Npc313979?
Plain description, key identifiers and synonyms
Npc313979 is a chemical substance with the molecular formula C37H34ClN2O6S2- and a molar mass of 702.27 g/mol. Its CAS registry number is 11096-63-2. The IUPAC name is 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
- CAS number
- 11096-63-2
- Molecular formula
- C37H34ClN2O6S2-
- InChIKey
- KZMRYBLIGYQPPP-UHFFFAOYSA-M
- InChI
- InChI=1S/C37H35ClN2O6S2/c1-3-39(25-27-9-7-11-33(23-27)47(41,42)43)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)38)30-17-21-32(22-18-30)40(4-2)26-28-10-8-12-34(24-28)48(44,45)46/h5-24H,3-4,25-26H2,1-2H3,(H-,41,42,43,44,45,46)/p-1
- SMILES (canonical and isomeric)
- CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)[O-])C=C3)C5=CC=CC=C5Cl
Synonyms
- Lissamine Green
- 3-[[4-[(2-chlorophenyl)-[4-[ethyl-[(3-sulfonatophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethylanilino]methyl]benzenesulfonate
- verde lisamina
- Lissamina Verde
- Vert Lissamine
- Fast light green
- Verde di lissamina
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 702.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 701.1552 Dacalc.Computed value |
| LogP (octanol/water) | 6.78calc.Computed value |
| Topological polar surface area | 120.7 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 7calc.Computed value |
| Rotatable bonds | 11calc.Computed value |
| Heavy atoms | 48calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.16calc.Computed value |
| Formal charge | -1calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C1=CC(=C(c2ccccc2)c2ccc(NCc3ccccc3)cc2)C=CC1=NCc1ccccc1
5 rings, 35 atoms.
60 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Npc313979 suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
1 supplier in 1 country
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
Npc313979 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Npc313979 is traded under.
Aromatic monoamines and their derivatives, salts thereof, other
- Belgium15.9%
- South Korea15.0%
- Germany12.8%
The HS code shown for Npc313979 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Npc313979, based on the data on this page
What is Npc313979?
What is the CAS number of Npc313979?
What is the molecular formula and weight of Npc313979?
What is Npc313979 used for?
Is Npc313979 hazardous?
What is the HS code of Npc313979?
Where can I buy Npc313979?
Where can I buy Npc313979 in India?
What is the price of Npc313979?
Guides for buyers
Practical guides that help when you source, ship or handle Npc313979
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
Get quotes for Npc313979
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Npc313979 with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/npc313979-11096-63-2" title="Npc313979 structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Aromatic building blocks or HS code 292149