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methyl 1-(aminomethyl)cyclopropanecarboxylate;hydrochloride - 97%, high purity , CAS No.1170782-90-7

COA

Grade & Purity:

≥97%

Cas Number: 1170782-90-7
Molecular Weight: 165.62
EC Number: 865-107-4
MDL number: MFCD10758090
PubChem CID: 21464884

In stock

Item Number

M637439

Grouped product items
SKU	Size	Availability	Price	Qty
M637439-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90

Basic Description

Synonyms	VWB78290 \| Cyclopropanecarboxylic acid, 1-(aminomethyl)-, methyl ester, hydrochloride (1:1) \| BQNOIBDCWPBGAS-UHFFFAOYSA-N \| METHYL 1-(AMINOMETHYL)CYCLOPROPANECARBOXYLATE HCL \| 1170782-90-7 \| AKOS005072182 \| Z1728629600 \| CS-0054208 \| 1-(aminomethyl)-cyclo
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Cyclopropanecarboxylic acids and derivatives Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Beta amino acid or derivatives - Cyclopropanecarboxylic 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 - Organopnictogen compound - 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

IUPAC Name	methyl 1-(aminomethyl)cyclopropane-1-carboxylate;hydrochloride
INCHI	InChI=1S/C6H11NO2.ClH/c1-9-5(8)6(4-7)2-3-6;/h2-4,7H2,1H3;1H
InChIKey	BQNOIBDCWPBGAS-UHFFFAOYSA-N
Smiles	COC(=O)C1(CC1)CN.Cl
Isomeric SMILES	COC(=O)C1(CC1)CN.Cl
Alternate CAS	1170782-90-7,914226-26-9
PubChem CID	21464884
Molecular Weight	165.62

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	165.620 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.056 Da
Monoisotopic Mass	165.056 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	129.000
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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