D-617 Hydrochloride
Also known as D-617 hydrochloride, (RS)-, 3,4-Dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-benzeneacetonitrile monohydrochloride, Benzeneacetonitrile, 3,4-dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-, hydrochloride (1:1)
Key facts
What buyers check first
- CAS number
- 67775-97-7
- Formula
- C17H27ClN2O2
- Molar mass
- 326.87 g/mol
- EC number
- 641-557-5
- HS code
- 292690
- Category
- Impurities and reference standards
What is D-617 Hydrochloride?
Plain description, key identifiers and synonyms
D-617 Hydrochloride is a chemical substance with the molecular formula C17H27ClN2O2 and a molar mass of 326.87 g/mol. Its CAS registry number is 67775-97-7. The IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile, hydrochloride.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile, hydrochloride
- CAS number
- 67775-97-7
- EC number
- 641-557-5
- Molecular formula
- C17H27ClN2O2
- UNII
- J368YCA39W
- InChIKey
- ARLOHZJIIHSRFE-UHFFFAOYSA-N
- InChI
- InChI=1S/C17H26N2O2.ClH/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5;/h7-8,11,13,19H,6,9-10H2,1-5H3;1H
- SMILES (canonical and isomeric)
- CC(C)C(CCCNC)(C#N)C1=CC(=C(C=C1)OC)OC.Cl
Synonyms
- D-617 hydrochloride, (RS)-
- 3,4-Dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-benzeneacetonitrile monohydrochloride
- Benzeneacetonitrile, 3,4-dimethoxy-alpha-(3-(methylamino)propyl)-alpha-(1-methylethyl)-, hydrochloride (1:1)
- 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile, hydrochloride
- 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile hydrochloride
- 3,4-Dimethoxy-a-[3-(methylamino)propyl]-a-(1-methylethyl)-benzeneacetonitrile Hydrochloride
- 3,4-Dimethoxy-alpha-[3-(methylamino)propyl]-alpha-(1-methylethyl)-benzeneacetonitrile Hydrochloride
- Verapamil EP Impurity F HCl
- (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride
- 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrilehydrochloride
- 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-(methylamino)pentanenitrile hydrochloride, Verapamil Impurity
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 | 326.87 g/molcalc.Computed value |
|---|---|
| Exact mass | 326.1761 Dacalc.Computed value |
| LogP (octanol/water) | 3.54calc.Computed value |
| Topological polar surface area | 54.28 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.59calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 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
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H302Harmful if swallowed.
Precautionary statements (5)
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidD-617 Hydrochloride suppliers
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D-617 Hydrochloride 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
Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.
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 D-617 Hydrochloride is traded under.
Nitrile-function compounds, other
- United States13.6%
- China12.4%
- Brazil11.9%
* Partner reported figures, a lower bound.
The HS code shown for D-617 Hydrochloride is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about D-617 Hydrochloride, based on the data on this page
What is D-617 Hydrochloride?
What is the CAS number of D-617 Hydrochloride?
What is the molecular formula and weight of D-617 Hydrochloride?
Is D-617 Hydrochloride hazardous?
What is the HS code of D-617 Hydrochloride?
Where can I buy D-617 Hydrochloride?
What is the price of D-617 Hydrochloride?
Guides for buyers
Practical guides that help when you source, ship or handle D-617 Hydrochloride
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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