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2-(1，4-Diazepan-1-yl)ethanol - ≥95%, high purity , CAS No.53427-65-9

COA

Grade & Purity:

≥95%

Cas Number: 53427-65-9
Molecular Weight: 144.22
PubChem CID: 2736550

In stock

Item Number

E700021

Grouped product items
SKU	Size	Availability	Price	Qty
E700021-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,271.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazepanes
    - Subclass 1,4-diazepanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazepanes
Subclass	1,4-diazepanes
Intermediate Tree Nodes	Not available
Direct Parent	1,4-diazepanes
Alternative Parents	Trialkylamines 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	1,4-diazepane - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Secondary aliphatic amine - Secondary amine - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
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	2-(1,4-diazepan-1-yl)ethanol
INCHI	InChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2
InChIKey	IXKNVDAHLCFGCV-UHFFFAOYSA-N
Smiles	C1CNCCN(C1)CCO
Isomeric SMILES	C1CNCCN(C1)CCO
PubChem CID	2736550
Molecular Weight	144.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	144.210 g/mol
XLogP3	-1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	144.126 Da
Monoisotopic Mass	144.126 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.700
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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