D-Alanine isopropyl ester HCl, 98%

Name: D-Alanine isopropyl ester HCl
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

39613-92-8

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About this item

IUPAC name	propan-2-yl (2R)-2-aminopropanoate;hydrochloride
canonical smiles	CC(C)OC(=O)C(C)N.Cl
inchi	InChI=1S/C6H13NO2.ClH/c1-4(2)9-6(8)5(3)7;/h4-5H,7H2,1-3H3;1H/t5-;/m1./s1
inchi key	YAQKNCSWDMGPOY-NUBCRITNSA-N
molecular formula	C6H14ClNO2
synonyms	39613-92-8 D-ALANINE ISOPROPYL ESTER HCL H-D-Ala-OiPr.HCl D-alanine isopropyl ester hydrochloride propan-2-yl (2R)-2-aminopropanoate hydrochloride

Computed Properties

Molecular Weight:	167.63 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	167.0713064 g/mol
Monoisotopic Mass:	167.0713064 g/mol
Topological Polar Surface Area:	52.3 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	101
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	1
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: CE4086

D-Alanine isopropyl ester HCl, 98%

Product No: CE4086

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

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Certificate of Analysis

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Product No: CE4086

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?