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2,4-Diaminobenzaldehyde

CAT: 0127-OR91580-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR91580-01Size:1 g
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CAS Number
98276-57-4
MDL Number
MFCD02094162
Purity
97%
Smiles
O=CC1=CC=C(N)C=C1N

Chemical Information

2,4-Diaminobenzaldehyde
CAS Number98276-57-4
PubChem CID11147748
IUPAC Name2,4-diaminobenzaldehyde
Molecular FormulaC7H8N2O
Molecular Weight136.15
XLogP0.6
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=CC(=C(C=C1N)N)C=O
InChI
InChI=1S/C7H8N2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H,8-9H2
InChIKey
VMFJRVFZHAPENO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Diaminobenzaldehyde
CAS: 98276-57-4
CID: 11147748
Formula: C7H8N2O
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass136.063662883
Monoisotopic Mass136.063662883
Topological Polar Surface Area69.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
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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