CAS: 104482-74-8
名称: 2-(4-butylcyclohexyl)acetonitrile
SMILES:
CCCCC1CCC(CC1)CC#NMolecular Processing
Molecular formula
C12H21N
Molecular weight
179.31
Exact mass
179.1674
XLogP
3.9
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
55.2
Supplementary Information
InChIKey: BFLOPTUHUWJQPC-UHFFFAOYSA-N
同義語
2-((1s,4r)-4-Butylcyclohexyl)acetonitrileSCHEMBL9406759SCHEMBL9406764BFLOPTUHUWJQPC-HAQNSBGRSA-Ntrans-4-butylcyclohexylacetonitriletrans-4-butylcyclohexyl acetonitrileA1-48520104482-74-8
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