N-[ (3-Aminophenyl) methyl]acetamide

CAT: 0926-FHA08056-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-FHA08056-01Size:0.5 g

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CAS Number

180080-56-2

MDL Number

MFCD13192769

Smiles

CC (=O) NCC1=CC (=CC=C1) N

Molecular Formula

C9H12N2O

Molecular Weight

164.2 g/mol

Controlled

Chemical Information

N-[(3-aminophenyl)methyl]acetamide

CAS Number	180080-56-2
PubChem CID	22569269
IUPAC Name	N-[(3-aminophenyl)methyl]acetamide
Molecular Formula	C9H12N2O
Molecular Weight	164.20
XLogP	-0.1
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	159

SMILES

CC(=O)NCC1=CC(=CC=C1)N

InChI

InChI=1S/C9H12N2O/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey

AJFXJYSVZXKJPL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 180080-56-2

CID: 22569269

Formula: C9H12N2O

MW: 164.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.20
XLogP3	-0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	164.094963011
Monoisotopic Mass	164.094963011
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159
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
ZDA36210-01	N-[ (4-Aminophenyl) methyl]acetamide
LUD67681-01	N-[ (2-Aminophenyl) methyl]acetamide hydrochloride
AAA12280-01	N- (4-Aminophenyl) acetamide
GJB04784-01	N- (3-Aminophenyl) -2- (diethylamino) acetamide
GWB85735-01	N-[ (4-Aminophenyl) methyl]-N- (propan-2-yl) acetamide
WTB82246-01	2-[1- (3-Aminophenyl) -N-methylformamido]acetamide
DNB89611-01	N- (3-Aminophenyl) -2- (2-methoxyphenoxy) acetamide
ZRB87433-01	N-[ (3-Aminophenyl) methyl]-N-methylacetamide
MTB79218-01	N-[ (3-Aminophenyl) methyl]-N-ethylacetamide
QIB53764-01	2-[ (3-Aminophenyl) formamido]acetamide

Catalog	Name
GTR19257315-01	N1- (3-Aminophenyl) acetamide
OR76278-01	2- (3-Aminophenyl) acetamide
sc-334692A	2- (2-aminophenyl) acetamide
abx185988-01	N-(2-Aminophenyl)acetamide
OR75983-01	2- (4-Aminophenyl) acetamide
OR21428	N1- (4-aminophenyl) acetamide
RG-A130960-01	N- (4-Aminophenyl) Acetamide
sc-329483	N- (3-Aminophenyl) -2- (3-methylphenoxy) acetamide
OR97104-01	Methyl 3- (3-aminophenyl) propanoate
sc-355050A	N-[1- (4-aminophenyl) -3-methyl-1H-pyrazol-5-yl]acetamide