AI57099
84996-68-9 | 2-Amino-N-propyl-DL-propanamide
Manufacturer: A2B Chem
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CatalogNumber
AI57099
ChemicalName
2-Amino-N-propyl-DL-propanamide
CasNumber
84996-68-9
MolecularFormula
C6H14N2O
MolecularWeight
130.1882
MdlNumber
MFCD06655626
Smiles
CCCNC(=O)C(N)C
Complexity
93.1
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.1
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CatalogNumber: AI57099
ChemicalName: 2-Amino-N-propyl-DL-propanamide
CasNumber: 84996-68-9
MolecularFormula: C6H14N2O
MolecularWeight: 130.1882
MdlNumber: MFCD06655626
Smiles: CCCNC(=O)C(N)C
Complexity: 93.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.1
CatalogNumber:
AI57099
ChemicalName:
2-Amino-N-propyl-DL-propanamide
CasNumber:
84996-68-9
MolecularFormula:
C6H14N2O
MolecularWeight:
130.1882
MdlNumber:
MFCD06655626
Smiles:
CCCNC(=O)C(N)C
Complexity:
93.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.1
CatalogNumber: AI57100
ChemicalName: 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide
CasNumber: 85-00-7
MolecularFormula: C12H12BrN2+
MolecularWeight: 264.14108
MdlNumber: MFCD00211319
Smiles: c1cc[n+]2c(-c3cccc[n+]3CC2)c1.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI57100
ChemicalName:
6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide
CasNumber:
85-00-7
MolecularFormula:
C12H12BrN2+
MolecularWeight:
264.14108
MdlNumber:
MFCD00211319
Smiles:
c1cc[n+]2c(-c3cccc[n+]3CC2)c1.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI57101
ChemicalName: 3-Nitrosalicylic acid
CasNumber: 85-38-1
MolecularFormula: C7H5NO5
MolecularWeight: 183.1183
MdlNumber: MFCD00024240
Smiles: OC(=O)c1cccc(c1O)[N+](=O)[O-]
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AI57101
ChemicalName:
3-Nitrosalicylic acid
CasNumber:
85-38-1
MolecularFormula:
C7H5NO5
MolecularWeight:
183.1183
MdlNumber:
MFCD00024240
Smiles:
OC(=O)c1cccc(c1O)[N+](=O)[O-]
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__