AE98637
191287-06-6 | Methyl 3-amino-4-cyclohexylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE98637
ChemicalName
Methyl 3-amino-4-cyclohexylbenzoate
CasNumber
191287-06-6
MolecularFormula
C14H19NO2
MolecularWeight
233.3062
MdlNumber
MFCD09833825
Smiles
COC(=O)c1ccc(c(c1)N)C1CCCCC1
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AE98637
ChemicalName: Methyl 3-amino-4-cyclohexylbenzoate
CasNumber: 191287-06-6
MolecularFormula: C14H19NO2
MolecularWeight: 233.3062
MdlNumber: MFCD09833825
Smiles: COC(=O)c1ccc(c(c1)N)C1CCCCC1
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AE98637
ChemicalName:
Methyl 3-amino-4-cyclohexylbenzoate
CasNumber:
191287-06-6
MolecularFormula:
C14H19NO2
MolecularWeight:
233.3062
MdlNumber:
MFCD09833825
Smiles:
COC(=O)c1ccc(c(c1)N)C1CCCCC1
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.6
CatalogNumber: AE98638
ChemicalName: 4-Dimethylaminophenyl acetylene
CasNumber: 17573-94-3
MolecularFormula: C10H11N
MolecularWeight: 145.201
MdlNumber: MFCD00168816
Smiles: C#Cc1ccc(cc1)N(C)C
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE98638
ChemicalName:
4-Dimethylaminophenyl acetylene
CasNumber:
17573-94-3
MolecularFormula:
C10H11N
MolecularWeight:
145.201
MdlNumber:
MFCD00168816
Smiles:
C#Cc1ccc(cc1)N(C)C
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1ccc(cc1)C(=O)CCC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1ccc(cc1)C(=O)CCC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1)OCC1CO1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1)OCC1CO1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__