AI53741
616875-89-9 | tert-Butyl 3-(2-cyanoethyl)-4-oxopiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI53741
ChemicalName
tert-Butyl 3-(2-cyanoethyl)-4-oxopiperidine-1-carboxylate
CasNumber
616875-89-9
MolecularFormula
C13H20N2O3
MolecularWeight
252.3095
MdlNumber
MFCD28991780
Smiles
N#CCCC1CN(CCC1=O)C(=O)OC(C)(C)C
Complexity
375
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AI53741
ChemicalName: tert-Butyl 3-(2-cyanoethyl)-4-oxopiperidine-1-carboxylate
CasNumber: 616875-89-9
MolecularFormula: C13H20N2O3
MolecularWeight: 252.3095
MdlNumber: MFCD28991780
Smiles: N#CCCC1CN(CCC1=O)C(=O)OC(C)(C)C
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AI53741
ChemicalName:
tert-Butyl 3-(2-cyanoethyl)-4-oxopiperidine-1-carboxylate
CasNumber:
616875-89-9
MolecularFormula:
C13H20N2O3
MolecularWeight:
252.3095
MdlNumber:
MFCD28991780
Smiles:
N#CCCC1CN(CCC1=O)C(=O)OC(C)(C)C
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC[C@@H]2[C@@H](C1)CCCN2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC[C@@H]2[C@@H](C1)CCCN2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI53743
ChemicalName: 3-Nitro-1,2-benzenedimethanol
CasNumber: 616888-05-2
MolecularFormula: C8H9NO4
MolecularWeight: 183.1614
MdlNumber: MFCD22572611
Smiles: OCc1cccc(c1CO)[N+](=O)[O-]
Complexity: 180
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.4
CatalogNumber:
AI53743
ChemicalName:
3-Nitro-1,2-benzenedimethanol
CasNumber:
616888-05-2
MolecularFormula:
C8H9NO4
MolecularWeight:
183.1614
MdlNumber:
MFCD22572611
Smiles:
OCc1cccc(c1CO)[N+](=O)[O-]
Complexity:
180
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1[nH]c(nc1CO)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1[nH]c(nc1CO)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__