PCPA methyl ester hydrochloride

CAT: 0127-BUP17885Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP17885Size:200 mg

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CAS Number

14173-40-1

Synonyms

4-Chloro-DL-phenylalanine methyl ester hydrochloride

Purity

=98%

Smiles

Cl.COC(=O)[C@@H](N)Cc1ccc(Cl)cc1

Chemical Information

4-Chloro-DL-phenylalanine methyl ester hydrochloride

CAS Number	14173-40-1
PubChem CID	2733277
IUPAC Name	methyl 2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
Molecular Formula	C10H13Cl2NO2
Molecular Weight	250.12
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

COC(=O)C(CC1=CC=C(C=C1)Cl)N.Cl

InChI

InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H

InChIKey

GCBCWTWQAFLKJG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14173-40-1

CID: 2733277

Formula: C10H13Cl2NO2

MW: 250.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	250.12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	249.0323340
Monoisotopic Mass	249.0323340
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
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Catalog	Name
A4744-1000	PCPA methyl ester hydrochloride
HY-101456-01	PCPA methyl ester (hydrochloride)
HY-101456R	PCPA methyl ester (hydrochloride) (Standard)
5871/100	pCPA methyl ester hydrochloride 100 mg
QAA02840-01	Phenylglycine Methyl Ester Hydrochloride
167257	β-Alanine Methyl Ester Hydrochloride
441185-01	Alloecgonine Methyl Ester Hydrochloride
TRC-S140523-50G	Sarcosine Methyl Ester Hydrochloride
sc-257564	Glycine methyl ester hydrochloride
G04210-01	Glycylglycine methyl ester hydrochloride