AG32958
439118-51-1 | tert-Butyl N-[(2-cyanophenyl)methyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AG32958
ChemicalName
tert-Butyl N-[(2-cyanophenyl)methyl]carbamate
CasNumber
439118-51-1
MolecularFormula
C13H16N2O2
MolecularWeight
232.2783
MdlNumber
MFCD09701214
Smiles
N#Cc1ccccc1CNC(=O)OC(C)(C)C
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AG32958
ChemicalName: tert-Butyl N-[(2-cyanophenyl)methyl]carbamate
CasNumber: 439118-51-1
MolecularFormula: C13H16N2O2
MolecularWeight: 232.2783
MdlNumber: MFCD09701214
Smiles: N#Cc1ccccc1CNC(=O)OC(C)(C)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AG32958
ChemicalName:
tert-Butyl N-[(2-cyanophenyl)methyl]carbamate
CasNumber:
439118-51-1
MolecularFormula:
C13H16N2O2
MolecularWeight:
232.2783
MdlNumber:
MFCD09701214
Smiles:
N#Cc1ccccc1CNC(=O)OC(C)(C)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)CN1CCCC1=O
Complexity: 242
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)CN1CCCC1=O
Complexity:
242
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: AG32960
ChemicalName: N-(Thiophen-2-ylmethyl)cyclohexanamine
CasNumber: 51305-86-3
MolecularFormula: C11H17NS
MolecularWeight: 195.3244
MdlNumber: MFCD04491291
Smiles: C1CCC(CC1)NCc1cccs1
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AG32960
ChemicalName:
N-(Thiophen-2-ylmethyl)cyclohexanamine
CasNumber:
51305-86-3
MolecularFormula:
C11H17NS
MolecularWeight:
195.3244
MdlNumber:
MFCD04491291
Smiles:
C1CCC(CC1)NCc1cccs1
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCc2c(-c3c1cccc3)cccc2
Complexity: 274
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCc2c(-c3c1cccc3)cccc2
Complexity:
274
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4