AA95438
180205-28-1 | 1-(Aminomethyl)cyclobutanol
Manufacturer: A2B Chem
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CatalogNumber
AA95438
ChemicalName
1-(Aminomethyl)cyclobutanol
CasNumber
180205-28-1
MolecularFormula
C5H11NO
MolecularWeight
101.14693999999999
MdlNumber
MFCD11040537
Smiles
NCC1(O)CCC1
Complexity
68.5
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.7
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CatalogNumber: AA95438
ChemicalName: 1-(Aminomethyl)cyclobutanol
CasNumber: 180205-28-1
MolecularFormula: C5H11NO
MolecularWeight: 101.14693999999999
MdlNumber: MFCD11040537
Smiles: NCC1(O)CCC1
Complexity: 68.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.7
CatalogNumber:
AA95438
ChemicalName:
1-(Aminomethyl)cyclobutanol
CasNumber:
180205-28-1
MolecularFormula:
C5H11NO
MolecularWeight:
101.14693999999999
MdlNumber:
MFCD11040537
Smiles:
NCC1(O)CCC1
Complexity:
68.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc(cc1Cl)S(=O)(=O)C
Complexity: 260
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc(cc1Cl)S(=O)(=O)C
Complexity:
260
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1nc(c(o1)c1ccc(c(c1)F)S(=O)(=O)N)C1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1nc(c(o1)c1ccc(c(c1)F)S(=O)(=O)N)C1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA95441
ChemicalName: Gatifloxacin sesquihydrate
CasNumber: 180200-66-2
MolecularFormula: C38H50F2N6O11
MolecularWeight: 804.834
MdlNumber: MFCD22373645
Smiles: COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.O.O.O
Complexity: 653
Covalently-bondedUnitCount: 5
HeavyAtomCount: 57
HydrogenBondAcceptorCount: 19
HydrogenBondDonorCount: 7
RotatableBondCount: 8
Xlogp3: __
CatalogNumber:
AA95441
ChemicalName:
Gatifloxacin sesquihydrate
CasNumber:
180200-66-2
MolecularFormula:
C38H50F2N6O11
MolecularWeight:
804.834
MdlNumber:
MFCD22373645
Smiles:
COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.COc1c(N2CCNC(C2)C)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1.O.O.O
Complexity:
653
Covalently-bondedUnitCount:
5
HeavyAtomCount:
57
HydrogenBondAcceptorCount:
19
HydrogenBondDonorCount:
7
RotatableBondCount:
8
Xlogp3:
__