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1-(aMino(phenyl)Methyl)cyclobutanol - ≥95%, high purity , CAS No.1378861-46-1

COA

Grade & Purity:

≥95%

Cas Number: 1378861-46-1
Molecular Weight: 177.24
PubChem CID: 18378372

In stock

Item Number

M729224

Grouped product items
SKU	Size	Availability	Price	Qty
M729224-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,081.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Not available
Direct Parent	Aralkylamines
Alternative Parents	Benzene and substituted derivatives Tertiary alcohols Cyclic alcohols and derivatives 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclobutanol - 1,2-aminoalcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Primary aliphatic amine - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
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-[amino(phenyl)methyl]cyclobutan-1-ol
INCHI	InChI=1S/C11H15NO/c12-10(11(13)7-4-8-11)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8,12H2
InChIKey	VMDNXLHIKOSMOJ-UHFFFAOYSA-N
Smiles	C1CC(C1)(C(C2=CC=CC=C2)N)O
Isomeric SMILES	C1CC(C1)(C(C2=CC=CC=C2)N)O
PubChem CID	18378372
Molecular Weight	177.24

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.240 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	177.115 Da
Monoisotopic Mass	177.115 Da
Topological Polar Surface Area	46.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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1-(aMino(phenyl)Methyl)cyclobutanol - ≥95%, high purity , CAS No.1378861-46-1

Basic Description