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N1,N1-dimethylcyclobutane-1,3-diamine dihydrochloride - 97%, high purity , CAS No.1229625-44-8

COA

Grade & Purity:

≥97%

Cas Number: 1229625-44-8
Molecular Weight: 187.11
EC Number: 833-962-2
MDL number: MFCD16621834
PubChem CID: 66545665

In stock

Item Number

N627592

Grouped product items
SKU	Size	Availability	Price
N627592-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$338.90
N627592-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,087.90
N627592-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,173.90

Basic Description

Synonyms	2230911-87-0 \| 1229625-44-8 \| EN300-199934 \| N1,N1-Dimethyl-1,3-cyclobutanediamine dihydrochloride \| PS-16633 \| CS-0183678 \| (1r,3r)-N1,N1-dimethylcyclobutane-1,3-diamine dihydrochloride, trans \| Z2010010268 \| SY173185 \| 1-N,1-N-dimethylcyclobutane-1,3-di
Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Trialkylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines
Direct Parent	Trialkylamines
Alternative Parents	Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Tertiary aliphatic amine - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary aliphatic amine - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
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	1-N,1-N-dimethylcyclobutane-1,3-diamine;dihydrochloride
INCHI	InChI=1S/C6H14N2.2ClH/c1-8(2)6-3-5(7)4-6;;/h5-6H,3-4,7H2,1-2H3;2*1H
InChIKey	PTXNWDIHHGMSQQ-UHFFFAOYSA-N
Smiles	CN(C)C1CC(C1)N.Cl.Cl
Isomeric SMILES	CN(C)C1CC(C1)N.Cl.Cl
Alternate CAS	1229625-44-8
PubChem CID	66545665
Molecular Weight	187.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	187.110 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	186.069 Da
Monoisotopic Mass	186.069 Da
Topological Polar Surface Area	29.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	74.600
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	3

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