AH96680
926204-43-5 | N-(3-Methylbutan-2-yl)cyclopropanamine
Manufacturer: A2B Chem
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CatalogNumber
AH96680
ChemicalName
N-(3-Methylbutan-2-yl)cyclopropanamine
CasNumber
926204-43-5
MolecularFormula
C8H17N
MolecularWeight
127.2273
MdlNumber
MFCD09044869
Smiles
CC(C(C)C)NC1CC1
Complexity
84.6
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AH96680
ChemicalName: N-(3-Methylbutan-2-yl)cyclopropanamine
CasNumber: 926204-43-5
MolecularFormula: C8H17N
MolecularWeight: 127.2273
MdlNumber: MFCD09044869
Smiles: CC(C(C)C)NC1CC1
Complexity: 84.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AH96680
ChemicalName:
N-(3-Methylbutan-2-yl)cyclopropanamine
CasNumber:
926204-43-5
MolecularFormula:
C8H17N
MolecularWeight:
127.2273
MdlNumber:
MFCD09044869
Smiles:
CC(C(C)C)NC1CC1
Complexity:
84.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: AH96681
ChemicalName: 3-Methyl-4-(trifluoromethyl)benzoic acid
CasNumber: 871571-29-8
MolecularFormula: C9H7F3O2
MolecularWeight: 204.1459
MdlNumber: MFCD13185723
Smiles: OC(=O)c1ccc(c(c1)C)C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
AH96681
ChemicalName:
3-Methyl-4-(trifluoromethyl)benzoic acid
CasNumber:
871571-29-8
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.1459
MdlNumber:
MFCD13185723
Smiles:
OC(=O)c1ccc(c(c1)C)C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CCC(NC1)c1ncc[nH]1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CCC(NC1)c1ncc[nH]1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(Br)cccc1C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(Br)cccc1C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__