AB64240
4379-15-1 | 3-Amino-4-methyl-pentan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AB64240
ChemicalName
3-Amino-4-methyl-pentan-1-ol
CasNumber
4379-15-1
MolecularFormula
C6H15NO
MolecularWeight
117.1894
MdlNumber
MFCD07366611
Smiles
OCCC(C(C)C)N
Complexity
54.5
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AB64240
ChemicalName: 3-Amino-4-methyl-pentan-1-ol
CasNumber: 4379-15-1
MolecularFormula: C6H15NO
MolecularWeight: 117.1894
MdlNumber: MFCD07366611
Smiles: OCCC(C(C)C)N
Complexity: 54.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AB64240
ChemicalName:
3-Amino-4-methyl-pentan-1-ol
CasNumber:
4379-15-1
MolecularFormula:
C6H15NO
MolecularWeight:
117.1894
MdlNumber:
MFCD07366611
Smiles:
OCCC(C(C)C)N
Complexity:
54.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
CatalogNumber: AB64241
ChemicalName: 3-Amino-4-methylbenzamide
CasNumber: 19406-86-1
MolecularFormula: C8H10N2O
MolecularWeight: 150.1778
MdlNumber: MFCD00035936
Smiles: NC(=O)c1ccc(c(c1)N)C
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: -0.3
CatalogNumber:
AB64241
ChemicalName:
3-Amino-4-methylbenzamide
CasNumber:
19406-86-1
MolecularFormula:
C8H10N2O
MolecularWeight:
150.1778
MdlNumber:
MFCD00035936
Smiles:
NC(=O)c1ccc(c(c1)N)C
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1ccc(c(c1)N)C
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(c(c1)N)C
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.3
CatalogNumber: AB64243
ChemicalName: 3-Amino-4-methylbenzonitrile
CasNumber: 60710-80-7
MolecularFormula: C8H8N2
MolecularWeight: 132.16252
MdlNumber: MFCD04039781
Smiles: N#Cc1ccc(c(c1)N)C
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AB64243
ChemicalName:
3-Amino-4-methylbenzonitrile
CasNumber:
60710-80-7
MolecularFormula:
C8H8N2
MolecularWeight:
132.16252
MdlNumber:
MFCD04039781
Smiles:
N#Cc1ccc(c(c1)N)C
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5