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4- (Dimethylamino) benzaldehyde

CAT: 0931-T65645-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T65645-01Size:1 g
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CAS Number
100-10-7
Target
Others
Related Pathways
Others
Purity
0.9982
Bioactivity
4- (Dimethylamino) benzaldehyde (p-Dimethylaminobenzaldehyde) is a carcinogen that can induce liver cancer.
Smiles
CN(C)c1ccc(C=O)cc1
Molecular Formula
C9H11NO
Molecular Weight
149.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(Dimethylamino)Benzaldehyde

4-(dimethylamino)benzaldehyde is a member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine. It has a role as a chromogenic compound. It is a member of benzaldehydes, a substituted aniline and a tertiary amino compound.

CAS Number100-10-7
PubChem CID7479
IUPAC Name4-(dimethylamino)benzaldehyde
Molecular FormulaC9H11NO
Molecular Weight149.19
XLogP1.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CN(C)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H11NO/c1-10(2)9-5-3-8(7-11)4-6-9/h3-7H,1-2H3
InChIKey
BGNGWHSBYQYVRX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Dimethylamino)Benzaldehyde
CAS: 100-10-7
CID: 7479
Formula: C9H11NO
MW: 149.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.19
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass149.084063974
Monoisotopic Mass149.084063974
Topological Polar Surface Area20.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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