3-Dimethylaminobenzoic acid

CAT: 0926-FD71387-01Size: 250 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD71387-01Size:250 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

99-64-9

MDL Number

MFCD00002497

Smiles

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

Molecular Formula

C9H11NO2

Molecular Weight

165.19 g/mol

Controlled

Chemical Information

3-(Dimethylamino)benzoic acid

RN given refers to parent cpd

CAS Number	99-64-9
PubChem CID	66837
IUPAC Name	3-(dimethylamino)benzoic acid
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	1.6
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	168

SMILES

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

InChI

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

InChIKey

NEGFNJRAUMCZMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-64-9

CID: 66837

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	1.6
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	168
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
FD70720-01	2-Dimethylaminobenzoic acid
FD05829-01	4-Dimethylaminobenzoic acid
FD151644-01	4-Dimethylaminobenzoic acid isoamylester
FD106359-01	4- (N, N-Dimethylaminobenzoic acid ethyl ester
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
QDA80883-01	3,3-Dimethylhexanoic acid
FAA96183-01	3,3-oxydipropanoic acid

Catalog	Name
425404-01	3-Dimethylaminobenzoic Acid
D35620	3-Dimethylaminobenzoic Acid 94%
abx183586-01	4-Dimethylaminobenzoic acid
D35610-01	2-Dimethylaminobenzoic acid 95%
D35630-01	4-Dimethylaminobenzoic acid 95%
34825450-100mg	3,3',5-Triiodothyroacetic acid, free acid
HY-W010611-01	3,3-Dimethylacrylic acid
426784-01	3,3-Dimethylbutyric Acid
273274-01	3,3-Dimethylglutaric acid
HY-133653-01	3,3-Dibromopropenoic acid