Products for Research Use Only
RegisterLogin

6-Isobutoxynicotinaldehyde

CAT: 0127-OR1096913-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1096913-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1427081-01-3
MDL Number
MFCD23952666
Purity
97%
Smiles
C1 (cnc (cc1) OCC (C) C) C=O

Chemical Information

6-Isobutoxynicotinaldehyde
CAS Number1427081-01-3
PubChem CID80631238
IUPAC Name6-(2-methylpropoxy)pyridine-3-carbaldehyde
Molecular FormulaC10H13NO2
Molecular Weight179.22
XLogP1.9
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
CC(C)COC1=NC=C(C=C1)C=O
InChI
InChI=1S/C10H13NO2/c1-8(2)7-13-10-4-3-9(6-12)5-11-10/h3-6,8H,7H2,1-2H3
InChIKey
VBXHKFIQFDBPBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Isobutoxynicotinaldehyde
CAS: 1427081-01-3
CID: 80631238
Formula: C10H13NO2
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass179.094628657
Monoisotopic Mass179.094628657
Topological Polar Surface Area39.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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

Related Products

CatalogName
BICL2356-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
BICL2357-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
PC1002678-016,6,6-Trifluorohexanoic acid
BUP05631CDK4/6-IN-6
OR1044037-01Nylon 6/6
OR1049560-016,6'-Biquinoline
OR52345-016,6-Dimethylfulvene
PC7812-016,6,6-Trifluoro-DL-norleucine
BICL2205-016,6'-Diazido-6,6'-dideoxy-a, a-D-trehalose hexaacetate
OR10068086,6',6'',6'''- (Pyrene-1,3,6,8-tetrayl) tetrakis (2-naphthoicacid)

Alternative Products

CatalogName
sc-257002A6,6,6-Trifluoronorleucine
GC3568-5mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
GC4378-10mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
H211306Hexanenitrile-6,6,6-d3
JH3398116,6,6-trideuteriohexanoic acid
sc-3372536,6,6-Trifluoro-hexylamine
AAA76464-016,6,6-Trifluorohexanoic acid
MBS6071646-01Sucrose-1,1,6,6,6',6'-d6
GC2126-250mg6,6''-Diazido-6,6''-dideoxy-α, α-D-trehalose
TRC-S697002-5MGSucrose-1,1,6,6,6’,6’-d6

Popular Products