Methyl 4-aminophenylacetate

CAT: 0127-OR0171-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR0171-01Size:1 g

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CAS Number

39552-81-3

Synonyms

4-Aminophenylacetic acid methyl ester, 4-[ (Methoxycarbonyl) methyl]aniline

MDL Number

MFCD06200783

Purity

98%

Smiles

COC(=O)Cc1ccc(N)cc1

Chemical Information

2-(4-Aminophenyl)propanoate

CAS Number	39552-81-3
PubChem CID	21538282
IUPAC Name	2-(4-aminophenyl)propanoate
Molecular Formula	C9H10NO2-
Molecular Weight	164.18
XLogP	1.9
Topological Polar Surface Area	66.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	-1
Complexity	156

SMILES

CC(C1=CC=C(C=C1)N)C(=O)[O-]

InChI

InChI=1S/C9H11NO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3,(H,11,12)/p-1

InChIKey

WOMVICAMAQURRN-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 39552-81-3

CID: 21538282

Formula: C9H10NO2-

MW: 164.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.18
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	164.071153562
Monoisotopic Mass	164.071153562
Topological Polar Surface Area	66.2 Å²
Heavy Atom Count	12
Formal Charge	-1
Complexity	156
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
OR59446-01	Methyl 3-aminophenylacetate
OR10871-01	Ethyl 4-aminophenylacetate
OR59469-01	Methyl 3-aminophenylacetate hydrochloride
OR470146	Methyl N-Boc-3-aminophenylacetate
OR01647-01	Tert-Butyl 4-aminophenylacetate
OR946796-01	Ethyl 2-aminophenylacetate
OR940897-01	Methyl 4-methyl-4-nitropentanoate
OR1013824-01	Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
OR1092028	Methyl 4-methyl-α-oxobenzeneacetate

Catalog	Name
455161-01	Methyl 3-aminophenylacetate
24461-61-8	Methyl (R) -aminophenylacetate
FM65833-01	Methyl 3-aminophenylacetate hydrochloride
455162-01	Methyl 3-aminophenylacetate, HCl
TRC-S670703-250MG	Sodium N-[1-Methyl-2-carbomethoxyvinyl]-D(-)-alpha-aminophenylacetate
sc-228548	Methyl 4-methyl-4-nitropentanoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-01	4-Methyl-4-[ (methylsulfanyl) methyl]piperidine
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate