AA62789
99724-19-3 | DL-3-(Boc-Amino)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AA62789
ChemicalName
DL-3-(Boc-Amino)pyrrolidine
CasNumber
99724-19-3
MolecularFormula
C9H18N2O2
MolecularWeight
186.2514
MdlNumber
MFCD00059040
Smiles
O=C(OC(C)(C)C)NC1CNCC1
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AA62789
ChemicalName: DL-3-(Boc-Amino)pyrrolidine
CasNumber: 99724-19-3
MolecularFormula: C9H18N2O2
MolecularWeight: 186.2514
MdlNumber: MFCD00059040
Smiles: O=C(OC(C)(C)C)NC1CNCC1
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AA62789
ChemicalName:
DL-3-(Boc-Amino)pyrrolidine
CasNumber:
99724-19-3
MolecularFormula:
C9H18N2O2
MolecularWeight:
186.2514
MdlNumber:
MFCD00059040
Smiles:
O=C(OC(C)(C)C)NC1CNCC1
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCCCS(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCCS(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(N=Cc1ccco1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(N=Cc1ccco1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA62793
ChemicalName: (1-Methylcyclohexyl)methanol
CasNumber: 14064-13-2
MolecularFormula: C8H16O
MolecularWeight: 128.212
MdlNumber: MFCD00270318
Smiles: OCC1(C)CCCCC1
Complexity: 82.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AA62793
ChemicalName:
(1-Methylcyclohexyl)methanol
CasNumber:
14064-13-2
MolecularFormula:
C8H16O
MolecularWeight:
128.212
MdlNumber:
MFCD00270318
Smiles:
OCC1(C)CCCCC1
Complexity:
82.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3