Methyl 2- (phenethylamino) acetate

CAT: 0926-GGA08095-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GGA08095-01Size:50 mg

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CAS Number

156080-95-4

MDL Number

MFCD11140518

Smiles

COC (=O) CNCCC1=CC=CC=C1

Molecular Formula

C11H15NO2

Molecular Weight

193.24 g/mol

Controlled

Chemical Information

Methyl 2-(phenethylamino)acetate

CAS Number	156080-95-4
PubChem CID	22991956
IUPAC Name	methyl 2-(2-phenylethylamino)acetate
Molecular Formula	C11H15NO2
Molecular Weight	193.24
XLogP	1.7
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

COC(=O)CNCCC1=CC=CC=C1

InChI

InChI=1S/C11H15NO2/c1-14-11(13)9-12-8-7-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

FBIPTCVAYJYXEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 156080-95-4

CID: 22991956

Formula: C11H15NO2

MW: 193.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.24
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	193.110278721
Monoisotopic Mass	193.110278721
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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