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3-Cycloheptylpropan-1-amine

CAT: 0926-AQB51360-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AQB51360-01Size:50 mg
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CAS Number
1000513-60-9
MDL Number
MFCD09913373
Smiles
NCCCC1CCCCCC1
Molecular Formula
C10H21N
Molecular Weight
155.3 g/mol
Controlled
No

Chemical Information

3-Cycloheptylpropan-1-amine
CAS Number1000513-60-9
PubChem CID54064485
IUPAC Name3-cycloheptylpropan-1-amine
Molecular FormulaC10H21N
Molecular Weight155.28
XLogP3.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity82
SMILES
C1CCCC(CC1)CCCN
InChI
InChI=1S/C10H21N/c11-9-5-8-10-6-3-1-2-4-7-10/h10H,1-9,11H2
InChIKey
PZJDCELJYZBWDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Cycloheptylpropan-1-amine
CAS: 1000513-60-9
CID: 54064485
Formula: C10H21N
MW: 155.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.28
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass155.167399674
Monoisotopic Mass155.167399674
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity82.9
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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