3- (4-Aminophenyl) -N-methylpropanamide

CAT: 0926-FDB25669Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-FDB25669Size:2.5 g

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CAS Number

705256-69-5

MDL Number

MFCD10022151

Smiles

CNC (=O) CCC1=CC=C (C=C1) N

Molecular Formula

C10H14N2O

Molecular Weight

178.24 g/mol

Controlled

Chemical Information

3-(4-aminophenyl)-N-methylpropanamide

CAS Number	705256-69-5
PubChem CID	23193737
IUPAC Name	3-(4-aminophenyl)-N-methylpropanamide
Molecular Formula	C10H14N2O
Molecular Weight	178.23
XLogP	0.7
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

CNC(=O)CCC1=CC=C(C=C1)N

InChI

InChI=1S/C10H14N2O/c1-12-10(13)7-4-8-2-5-9(11)6-3-8/h2-3,5-6H,4,7,11H2,1H3,(H,12,13)

InChIKey

XDIZSQMXCUSTBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 705256-69-5

CID: 23193737

Formula: C10H14N2O

MW: 178.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.23
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	178.110613074
Monoisotopic Mass	178.110613074
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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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