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Oxan-4-ylmethylamine

CAT: 1596-AR-V07101-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V07101-01Size:10 Units
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CAS Number
130290-79-8
Synonyms
1- (Tetrahydro-2H-pyran-4-yl) methanamine
Molecular Formula
C6H13NO
Molecular Weight
115.17
API Name
Venetoclax

Chemical Information

4-Aminomethyltetrahydropyran
CAS Number130290-79-8
PubChem CID2773210
IUPAC Nameoxan-4-ylmethanamine
Molecular FormulaC6H13NO
Molecular Weight115.17
XLogP-0.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity59
SMILES
C1COCCC1CN
InChI
InChI=1S/C6H13NO/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChIKey
IPBPLHNLRKRLPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Aminomethyltetrahydropyran
CAS: 130290-79-8
CID: 2773210
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight115.17
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass115.099714038
Monoisotopic Mass115.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity59.5
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