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Azepan-4-amine

CAT: 0127-OR86706-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-OR86706-01Size:50 mg
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CAS Number
108724-15-8
MDL Number
MFCD07778597
Purity
98%
Smiles
C1CC(CCNC1)N

Chemical Information

Azepan-4-amine
CAS Number108724-15-8
PubChem CID4169161
IUPAC Nameazepan-4-amine
Molecular FormulaC6H14N2
Molecular Weight114.19
XLogP-0.2
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity63
SMILES
C1CC(CCNC1)N
InChI
InChI=1S/C6H14N2/c7-6-2-1-4-8-5-3-6/h6,8H,1-5,7H2
InChIKey
ZRNRPJNPCUSWGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azepan-4-amine
CAS: 108724-15-8
CID: 4169161
Formula: C6H14N2
MW: 114.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.19
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.115698455
Monoisotopic Mass114.115698455
Topological Polar Surface Area38.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity63.5
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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