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(Azepan-4-yl) methanol

CAT: 0926-JAC07749-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-JAC07749-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1259077-49-0
MDL Number
MFCD18088890
Smiles
C1CC (CCNC1) CO
Molecular Formula
C7H15NO
Molecular Weight
129.2 g/mol
Controlled
No

Chemical Information

(Azepan-4-yl)methanol
CAS Number1259077-49-0
PubChem CID22594076
IUPAC Nameazepan-4-ylmethanol
Molecular FormulaC7H15NO
Molecular Weight129.20
XLogP0.2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity75
SMILES
C1CC(CCNC1)CO
InChI
InChI=1S/C7H15NO/c9-6-7-2-1-4-8-5-3-7/h7-9H,1-6H2
InChIKey
ICMFRWRTMCSQFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Azepan-4-yl)methanol
CAS: 1259077-49-0
CID: 22594076
Formula: C7H15NO
MW: 129.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.20
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass129.115364102
Monoisotopic Mass129.115364102
Topological Polar Surface Area32.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity75.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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