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Methyl 1-(aminomethyl)cyclobutanecarboxylate hydrochloride - 95%, high purity , CAS No.1172902-07-6

COA

Grade & Purity:

≥95%

Cas Number: 1172902-07-6
Molecular Weight: 179.65
PubChem CID: 43811188
PubChem SID: 504770224

In stock

Item Number

M189889

Grouped product items
SKU	Size	Availability	Price
M189889-100mg	100mg	3	$57.90
M189889-250mg	250mg	3	$119.90
M189889-1g	1g	4	$430.90

Basic Description

Synonyms	methyl 1-(aminomethyl)cyclobutanecarboxylate hydrochloride \| 1172902-07-6 \| methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride \| methyl 1-(aminomethyl)cyclobutane-1-carboxylate hydrochloride \| MFCD10758084 \| methyl 1-(aminomethyl)cyclobutanecarboxylatehy
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Beta amino acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives
Direct Parent	Beta amino acids and derivatives
Alternative Parents	Methyl esters Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Amine - Hydrochloride - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
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

Pubchem Sid	504770224
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770224
IUPAC Name	methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
INCHI	InChI=1S/C7H13NO2.ClH/c1-10-6(9)7(5-8)3-2-4-7;/h2-5,8H2,1H3;1H
InChIKey	SJRYNNUCUQDHGO-UHFFFAOYSA-N
Smiles	COC(=O)C1(CCC1)CN.Cl
Isomeric SMILES	COC(=O)C1(CCC1)CN.Cl
Molecular Weight	179.65
Reaxy-Rn	36278347
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36278347&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
F2309368	Certificate of Analysis	Apr 24, 2023	M189889
F2309369	Certificate of Analysis	Apr 24, 2023	M189889
F2309367	Certificate of Analysis	Apr 24, 2023	M189889
F2309370	Certificate of Analysis	Apr 24, 2023	M189889
F2309371	Certificate of Analysis	Apr 24, 2023	M189889
F2309372	Certificate of Analysis	Apr 24, 2023	M189889

Chemical and Physical Properties

Molecular Weight	179.640 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	179.071 Da
Monoisotopic Mass	179.071 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141.000
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	2

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