N-Isopropylbenzamide

CAT: 0127-OR1052463-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1052463-01Size:250 mg

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CAS Number

5440-69-7

MDL Number

MFCD00048274

Purity

95%

Smiles

O=C(NC(C)C)C1=CC=CC=C1

Chemical Information

N-Isopropylbenzamide

CAS Number	5440-69-7
PubChem CID	79503
IUPAC Name	N-propan-2-ylbenzamide
Molecular Formula	C10H13NO
Molecular Weight	163.22
XLogP	2
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	148

SMILES

CC(C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C10H13NO/c1-8(2)11-10(12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)

InChIKey

INOVPKZAEASFME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5440-69-7

CID: 79503

Formula: C10H13NO

MW: 163.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.22
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	163.099714038
Monoisotopic Mass	163.099714038
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	148
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
OR346698	4-Isopropylbenzamide
OR1097633	N-Benzyl-4-bromo-2-isopropylbenzamide
OR1088210-01	4-Bromo-N-cyclopropyl-2-isopropylbenzamide
OR1099130-01	4-Bromo-2-isopropylbenzamide
OR1101131-01	3-Bromo-5-isopropylbenzamide
OR22662	N, N, N, N, N, N-hexaethylphosphinetricarboxamide
OR9122-01	N, N, N', N', N'', N''-Hexamethylmethanetriamine
OR55651-01	N, N, N', N'', N''-Pentamethyldiethylenetriamine
OR1077740	N, N', N'', N''', N''''-Pentaacetylchitopentaose
OR1014057	N, N, N', N'-Tetraethylethylenediamine

Catalog	Name
426125-01	3-Iodo-N-isopropylbenzamide
sc-261955A	4-Fluoro-N-isopropylbenzamide
sc-335077	2-amino-N-isopropylbenzamide
sc-259695	2-Bromo-N-isopropylbenzamide
429433-01	4- (Chloromethyl) -N-isopropylbenzamide
424610-01	3-Bromo-N-isopropylbenzamide
sc-261834A	4-Bromo-N-isopropylbenzamide
sc-312464	3-Amino-N-isopropylbenzamide
425262-01	3-Cyano-N-isopropylbenzamide
423121-01	3- (Chloromethyl) -N-isopropylbenzamide