DL-Phenylalanine Methyl Ester

CAT: 0024-sc-478584Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478584Size:250 mg

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CAS Number

15028-44-1

Chemical Information

DL-Phenylalanine, methyl ester

See also: L-Phenylalanine, methyl ester (annotation moved to).

CAS Number	15028-44-1
PubChem CID	75737
IUPAC Name	methyl 2-amino-3-phenylpropanoate
Molecular Formula	C10H13NO2
Molecular Weight	179.22
XLogP	1.1
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	164

SMILES

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

InChI

InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3

InChIKey

VSDUZFOSJDMAFZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15028-44-1

CID: 75737

Formula: C10H13NO2

MW: 179.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.22
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	179.094628657
Monoisotopic Mass	179.094628657
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	164
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	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-239162	α-Methyl-DL-phenylalanine
sc-235858	β-Methyl-DL-phenylalanine hydrochloride
sc-269983	O-Methyl-DL-phenylalanine
sc-477577	DL-β-Phenylalanine N-Hydroxysuccinimide Ester
sc-326426A	Boc-beta-methyl-DL-phenylalanine
sc-327752A	Fmoc-beta-methyl-DL-phenylalanine
sc-327752	Fmoc-beta-methyl-DL-phenylalanine
sc-326426	Boc-beta-methyl-DL-phenylalanine
sc-294406	DL-Phenylalanine t-butyl ester hydrochloride
sc-284982	Benzoyl-DL-phenylalanine beta-naphthyl ester

Catalog	Name
QAA02844-01	DL-phenylalanine methyl ester
GE2316-25g	DL-Phenylalanine methyl ester hydrochloride
447542-01	DL-phenylalanine methyl ester, HCl
235050-01	A-Methyl-DL-phenylalanine methyl ester hydrochloride
FM50527-01	N-Methyl-DL-phenylalanine methyl ester hydrochloride
283811-01	-alpha-Methyl-DL-phenylalanine methyl ester hydrochloride
431807-01	4-Chloro-DL-phenylalanine Methyl Ester Hydrochloride
277265-01	4-Fluoro-DL-phenylalanine methyl ester hydrochloride
240065-01	N-Methyl-DL-phenylalanine methyl ester hydrochloride 99+% (TLC)
233068-01	4-Chloro-DL-phenylalanine methyl ester hydrochloride 99+% (HPLC)