Basic information

Product Name: 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate
Synonyms: 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate
CAS NO:102852-53-9
Molecular Formula: C₂₈H₄₀N₂O₄S
Molecular Weight: 500.69
EINECS: N/A
Product Categories: N/A
Mol File: 102852-53-9.mol

Chemical Properties

Melting Point: N/A
Boiling Point: 614.2°Cat760mmHg
Flash Point: 325.3°C
Appearance: /
Density: 1.05g/cm³
Vapor Pressure: 5.08E-15mmHg at 25°C
Refractive Index: 1.524
Storage Temp.: N/A
Solubility: N/A
CAS DataBase Reference: 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate(CAS DataBase Reference)
NIST Chemistry Reference: 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate(102852-53-9)
EPA Substance Registry System: 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate(102852-53-9)

Safety Data

Hazard Codes: N/A
Statements: N/A
Safety Statements: N/A
WGK Germany:
RTECS:
HazardClass: N/A
PackingGroup: N/A
Hazardous Substances Data: 102852-53-9(Hazardous Substances Data)

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Check Digit Verification of cas no

The CAS Registry Mumber 102852-53-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,2,8,5 and 2 respectively; the second part has 2 digits, 5 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 102852-53:
(8*1)+(7*0)+(6*2)+(5*8)+(4*5)+(3*2)+(2*5)+(1*3)=99
99 % 10 = 9
So 102852-53-9 is a valid CAS Registry Number.

InChI:InChI=1/C28H40N2O4S/c1-21(2)28(19-29-20-35,23-10-12-25(32-5)27(18-23)34-7)14-8-15-30(3)16-13-22-9-11-24(31-4)26(17-22)33-6/h9-12,17-18,21H,8,13-16,19H2,1-7H3

102852-53-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name	4-(3,4-dimethoxyphenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-4-(isothiocyanatomethyl)-5-methylhexan-1-amine

1.2 Other means of identification

Product number	-
Other names	(+/-)-5-<(3,4-dimethoxyphenethyl)methylamino>-2-(3,4-dimethoxyphenyl)-2-isopropylpentyl isothiocyanate

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:102852-53-9 SDS

102852-53-9Upstream product

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102852-53-9Relevant academic research and scientific papers

Studies on Ca2+ channel antagonists. 5-[(3,4-dimethoxyphenethyl)methylamino]-2-)3,4- dimethoxyphenyl)-2-isopropylpentyl isothiocyanate, a chemoaffinity ligand derived from verapamil

Theodore,Nelson,Zobrist,et al.

, p. 1789 - 1792 (2007/10/02)

Reduction of 1 (verapamil) afforded amine, which was converted with thiophosgene to isothiocyanate 3, a chemoaffinity ligand for Ca2+ channels. Compound 3 showed concentration-dependent negative inotropic effects in rat right myocardial ventric

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