AB32414
27646-78-2 | 2-(Methylamino)propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AB32414
ChemicalName
2-(Methylamino)propan-1-ol
CasNumber
27646-78-2
MolecularFormula
C4H11NO
MolecularWeight
89.1362
MdlNumber
MFCD10686605
Smiles
CC(NC)CO
Complexity
30.7
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AB32414
ChemicalName: 2-(Methylamino)propan-1-ol
CasNumber: 27646-78-2
MolecularFormula: C4H11NO
MolecularWeight: 89.1362
MdlNumber: MFCD10686605
Smiles: CC(NC)CO
Complexity: 30.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AB32414
ChemicalName:
2-(Methylamino)propan-1-ol
CasNumber:
27646-78-2
MolecularFormula:
C4H11NO
MolecularWeight:
89.1362
MdlNumber:
MFCD10686605
Smiles:
CC(NC)CO
Complexity:
30.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c(=O)n(cc1C)[C@H]1C=C[C@H](O1)COP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c(=O)n(cc1C)[C@H]1C=C[C@H](O1)COP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB32419
ChemicalName: 4-[(4-Methoxyphenyl)carbonyl]benzonitrile
CasNumber: 27645-60-9
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD01311594
Smiles: COc1ccc(cc1)C(=O)c1ccc(cc1)C#N
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3
CatalogNumber:
AB32419
ChemicalName:
4-[(4-Methoxyphenyl)carbonyl]benzonitrile
CasNumber:
27645-60-9
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD01311594
Smiles:
COc1ccc(cc1)C(=O)c1ccc(cc1)C#N
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3