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methyl 4-(1-aminocyclopropyl)benzoate;hydrochloride - 97%, high purity , CAS No.1014645-87-4

COA

Grade & Purity:

≥97%

Cas Number: 1014645-87-4
Molecular Weight: 227.69
PubChem CID: 66824369

In stock

Item Number

M626532

Grouped product items
SKU	Size	Availability	Price
M626532-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
M626532-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
M626532-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90
M626532-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$352.90

Basic Description

Synonyms	1014645-87-4 \| Methyl 4-(1-aminocyclopropyl)benzoate hydrochloride \| 4-(1-Amino-cyclopropyl)-benzoic acid methyl ester hydrochloride \| Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1) \| methyl 4-(1-aminocyclopropyl)benzoate \| hydro
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Aralkylamines Methyl esters Amino acids and derivatives Organooxygen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoyl - Aralkylamine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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	methyl 4-(1-aminocyclopropyl)benzoate;hydrochloride
INCHI	InChI=1S/C11H13NO2.ClH/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11;/h2-5H,6-7,12H2,1H3;1H
InChIKey	SZUAJCIGBDCCPA-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C2(CC2)N.Cl
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C2(CC2)N.Cl
PubChem CID	66824369
Molecular Weight	227.69

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	227.690 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	227.071 Da
Monoisotopic Mass	227.071 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227.000
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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