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3-(Diethylamino)propyl isothiocyanate - 97%, high purity , CAS No.2626-52-0

COA

Grade & Purity:

≥97%

Cas Number: 2626-52-0
Molecular Weight: 172.29
MDL number: MFCD00041133
PubChem CID: 2758240

In stock

Item Number

D169136

Grouped product items
SKU	Size	Availability	Price
D169136-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
D169136-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$72.90
D169136-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$324.90

Basic Description

Synonyms	3-(Diethylamino)propyl isothiocyanate, 97% \| diethyl-(3-isothiocyanato-propyl)-amine \| diethyl(3-isothiocyanatopropyl)amine \| FT-0613754 \| N,N-diethyl-3-isothiocyanato-propan-1-amine \| N,N-diethyl-3-isothiocyanatopropan-1-amine \| 3-(N,N-diethylamino)propy
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothiocyanates
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanates
Alternative Parents	Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tertiary aliphatic amine - Tertiary amine - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	N,N-diethyl-3-isothiocyanatopropan-1-amine
INCHI	InChI=1S/C8H16N2S/c1-3-10(4-2)7-5-6-9-8-11/h3-7H2,1-2H3
InChIKey	QPBVKSLJBRCKIF-UHFFFAOYSA-N
Smiles	CCN(CC)CCCN=C=S
Isomeric SMILES	CCN(CC)CCCN=C=S
WGK Germany	3
Molecular Weight	172.29
Reaxy-Rn	1757446
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757446&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Flash Point(°F)	>230 °F
Flash Point(°C)	>110 °C
Boil Point(°C)	94-95°/3.5mmHg
Molecular Weight	172.290 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	172.103 Da
Monoisotopic Mass	172.103 Da
Topological Polar Surface Area	47.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	126.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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