C=CCOC(=O)CC1(CN)CCCCC1.Cl
CAS: 649747-99-9
名称: prop-2-enyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
SMILES: C=CCOC(=O)CC1(CN)CCCCC1.Cl

Molecular Processing

Molecular formula
C12H22ClNO2
Molecular weight
247.77
Exact mass
247.1339
XLogP
2.44
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.75
Molar refractivity
67.59

Supplementary Information

InChIKey: VVPFNAQHSGOWPD-UHFFFAOYSA-N
同義語
649747-99-9SCHEMBL612325VVPFNAQHSGOWPD-UHFFFAOYSA-NDA-35351Allyl 1-Aminomethyl-1-Cyclohexane Acetate Hydrochloride
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