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2-Cyclopentylpropan-1-amine

CAT: 0926-HTB50739-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HTB50739-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1082507-39-8
MDL Number
MFCD11590387
Smiles
CC (C1CCCC1) CN
Molecular Formula
C8H17N
Molecular Weight
127.2 g/mol
Controlled
No

Chemical Information

2-Cyclopentylpropan-1-amine
CAS Number1082507-39-8
PubChem CID54277124
IUPAC Name2-cyclopentylpropan-1-amine
Molecular FormulaC8H17N
Molecular Weight127.23
XLogP2.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity74
SMILES
CC(CN)C1CCCC1
InChI
InChI=1S/C8H17N/c1-7(6-9)8-4-2-3-5-8/h7-8H,2-6,9H2,1H3
InChIKey
BFDSHANQIVLFPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopentylpropan-1-amine
CAS: 1082507-39-8
CID: 54277124
Formula: C8H17N
MW: 127.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight127.23
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass127.136099547
Monoisotopic Mass127.136099547
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity74.6
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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