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N- (Cyclohexylmethyl) pyrazin-2-amine

CAT: 0926-WTB89408-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-WTB89408-01Size:100 mg
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CAS Number
1096894-08-4
MDL Number
MFCD12165987
Smiles
C1CCC (CC1) CNC2=NC=CN=C2
Molecular Formula
C11H17N3
Molecular Weight
191.27 g/mol
Controlled
No

Chemical Information

N-(cyclohexylmethyl)pyrazin-2-amine
CAS Number1096894-08-4
PubChem CID43215345
IUPAC NameN-(cyclohexylmethyl)pyrazin-2-amine
Molecular FormulaC11H17N3
Molecular Weight191.27
XLogP2.5
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity155
SMILES
C1CCC(CC1)CNC2=NC=CN=C2
InChI
InChI=1S/C11H17N3/c1-2-4-10(5-3-1)8-14-11-9-12-6-7-13-11/h6-7,9-10H,1-5,8H2,(H,13,14)
InChIKey
QWZLTQDQONXPFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(cyclohexylmethyl)pyrazin-2-amine
CAS: 1096894-08-4
CID: 43215345
Formula: C11H17N3
MW: 191.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.27
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass191.142247555
Monoisotopic Mass191.142247555
Topological Polar Surface Area37.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity155
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