N-[3- (Hydroxymethyl) phenyl]propanamide

CAT: 0926-GDA86339-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-GDA86339-01Size:100 mg

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CAS Number

81863-39-0

MDL Number

MFCD12818537

Smiles

CCC (=O) NC1=CC=CC (=C1) CO

Molecular Formula

C10H13NO2

Molecular Weight

179.22 g/mol

Controlled

Chemical Information

N-[3-(hydroxymethyl)phenyl]propanamide

CAS Number	81863-39-0
PubChem CID	12959862
IUPAC Name	N-[3-(hydroxymethyl)phenyl]propanamide
Molecular Formula	C10H13NO2
Molecular Weight	179.22
XLogP	0.9
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	170

SMILES

CCC(=O)NC1=CC=CC(=C1)CO

InChI

InChI=1S/C10H13NO2/c1-2-10(13)11-9-5-3-4-8(6-9)7-12/h3-6,12H,2,7H2,1H3,(H,11,13)

InChIKey

OXMAESUKCBCFLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 81863-39-0

CID: 12959862

Formula: C10H13NO2

MW: 179.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.22
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	179.094628657
Monoisotopic Mass	179.094628657
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
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
TLB81065-01	N-[3- (Aminomethyl) phenyl]propanamide
GWB64243-01	N-[2- (1-Hydroxyethyl) phenyl]propanamide
RAA37594-01	N-[3- (Hydroxymethyl) phenyl]acetamide
FDA93665-01	N-[3- (Hydroxymethyl) phenyl]benzamide
GDA86334-01	Methyl N-[3- (hydroxymethyl) phenyl]carbamate
FP172240-01	3-Phenyl-2-phthalimidoyl-N- (methylsulfonyl) propanamide
SQB03355-01	2-Chloro-N-[3- (methylsulfanyl) phenyl]propanamide
FC169946	2-Chloro-N- (3- (phenylcarbonyl) phenyl) propanamide
QGB23232-01	2-Chloro-N-[3- (dimethylsulfamoyl) phenyl]propanamide
SBA45945-01	N-Phenyl-2- (propylamino) propanamide

Catalog	Name
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OR1048396-01	N- (3- (Hydroxymethyl) phenyl) -2-phenylacetamide
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OR950936-01	N-[2- (Hydroxymethyl) phenyl]acetamide
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