4-Dimethylaminobenzoic acid

CAT: 0063-11447701-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0063-11447701-01Size:25 g

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CAS Number

619-84-1

Chemical Information

4-(Dimethylamino)benzoic acid

CAS Number	619-84-1
PubChem CID	12092
IUPAC Name	4-(dimethylamino)benzoic acid
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	1.8
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	160

SMILES

CN(C)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)

InChIKey

YDIYEOMDOWUDTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 619-84-1

CID: 12092

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	160
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
FD05829-01	4-Dimethylaminobenzoic acid
FD151644-01	4-Dimethylaminobenzoic acid isoamylester
D35630-01	4-Dimethylaminobenzoic acid 95%
GK0817-5g	3-Dimethylaminobenzoic acid
FD70720-01	2-Dimethylaminobenzoic acid
FD168465-01	3-Dimethylaminobenzoic acid - 90%
D35620	3-Dimethylaminobenzoic Acid 94%
D35610-01	2-Dimethylaminobenzoic acid 95%
FD106359-01	4- (N, N-Dimethylaminobenzoic acid ethyl ester
M2952-64	4-Mercaptophenylbutyric Acid (4- (4-Mercaptophenyl) butyric Acid)