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3-(1H-Imidazol-5-yl)propan-1-ol - ≥97%, high purity , CAS No.49549-75-9

COA

Grade & Purity:

≥97%

Cas Number: 49549-75-9
EC Number: 811-422-7
PubChem CID: 572700

In stock

Item Number

P698115

Grouped product items
SKU	Size	Availability	Price	Qty
P698115-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Not available
Direct Parent	Imidazoles
Alternative Parents	Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Imidazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as imidazoles. These are compounds containing an imidazole ring, which is an aromatic five-member ring with two nitrogen atoms at positions 1 and 3, and three carbon atoms.
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	3-(1H-imidazol-5-yl)propan-1-ol
INCHI	InChI=1S/C6H10N2O/c9-3-1-2-6-4-7-5-8-6/h4-5,9H,1-3H2,(H,7,8)
InChIKey	DKFVEDKCRIZEEM-UHFFFAOYSA-N
Smiles	C1=C(NC=N1)CCCO
Isomeric SMILES	C1=C(NC=N1)CCCO
Alternate CAS	49549-75-9
PubChem CID	572700

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	126.160 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	126.079 Da
Monoisotopic Mass	126.079 Da
Topological Polar Surface Area	48.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77.500
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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