PCPA methyl ester hydrochloride

CAT: 0926-YAA43491Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-YAA43491Size:250 mg

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CAS Number

23434-91-5

Smiles

CN1CCCCC1C2=C (N=CC=C2) SC

Molecular Formula

C10H13Cl2NO2

Molecular Weight

250.12 g/mol

Controlled

Chemical Information

4-Chloro-L-phenylalanine methyl ester hydrochloride

CAS Number	23434-91-5
PubChem CID	23619157
IUPAC Name	methyl (2S)-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@H](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/t9-;/m0./s1

InChIKey

GCBCWTWQAFLKJG-FVGYRXGTSA-N

Chemical Structure

2D Structure

CAS: 23434-91-5

CID: 23619157

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	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

Catalog	Name
QAA02840-01	Phenylglycine Methyl Ester Hydrochloride
FS37426-01	Sarcosine methyl ester hydrochloride
NBA96940-01	(-) -Ecgonine methyl ester hydrochloride
FP41727-01	D- (-) -a-Phenylglycine methyl ester hydrochloride
FA38110-01	B-Alanine methyl ester hydrochloride
FD22596-01	L-DOPA methyl ester hydrochloride
FA49283-01	L-Asparagine methyl ester hydrochloride
FA37427-01	DL-Alanine methyl ester hydrochloride
FT37766-01	L-Tyrosine methyl ester hydrochloride
FP27178-01	L-Proline methyl ester hydrochloride

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
441185-01	Alloecgonine Methyl Ester Hydrochloride
167257	β-Alanine Methyl Ester Hydrochloride
sc-229280	Sarcosine methyl ester hydrochloride
sc-257564	Glycine methyl ester hydrochloride
G04210-01	Glycylglycine methyl ester hydrochloride
165921	Phenylglycine Methyl Ester Hydrochloride