AB63513
817-11-8 | 3,3',3''-Nitrilotripropionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63513
ChemicalName
3,3',3''-Nitrilotripropionic acid
CasNumber
817-11-8
MolecularFormula
C9H15NO6
MolecularWeight
233.2185
MdlNumber
MFCD00055827
Smiles
OC(=O)CCN(CCC(=O)O)CCC(=O)O
NscNumber
145698
Complexity
222
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
9
Xlogp3
-3.5
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CatalogNumber: AB63513
ChemicalName: 3,3',3''-Nitrilotripropionic acid
CasNumber: 817-11-8
MolecularFormula: C9H15NO6
MolecularWeight: 233.2185
MdlNumber: MFCD00055827
Smiles: OC(=O)CCN(CCC(=O)O)CCC(=O)O
NscNumber: 145698
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 9
Xlogp3: -3.5
CatalogNumber:
AB63513
ChemicalName:
3,3',3''-Nitrilotripropionic acid
CasNumber:
817-11-8
MolecularFormula:
C9H15NO6
MolecularWeight:
233.2185
MdlNumber:
MFCD00055827
Smiles:
OC(=O)CCN(CCC(=O)O)CCC(=O)O
NscNumber:
145698
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
9
Xlogp3:
-3.5
CatalogNumber: AB63514
ChemicalName: Tris(2-cyanoethyl)amine
CasNumber: 7528-78-1
MolecularFormula: C9H12N4
MolecularWeight: 176.2184
MdlNumber: MFCD00671575
Smiles: N#CCCN(CCC#N)CCC#N
NscNumber: 61541
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: -0.7
CatalogNumber:
AB63514
ChemicalName:
Tris(2-cyanoethyl)amine
CasNumber:
7528-78-1
MolecularFormula:
C9H12N4
MolecularWeight:
176.2184
MdlNumber:
MFCD00671575
Smiles:
N#CCCN(CCC#N)CCC#N
NscNumber:
61541
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)CCN(CCC(=O)N)CCC(=O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)CCN(CCC(=O)N)CCC(=O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63516
ChemicalName: 3,3,3-Trifluoro-1-propanol
CasNumber: 2240-88-2
MolecularFormula: C3H5F3O
MolecularWeight: 114.06640959999999
MdlNumber: MFCD00190649
Smiles: OCCC(F)(F)F
NscNumber: __
Complexity: 48.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB63516
ChemicalName:
3,3,3-Trifluoro-1-propanol
CasNumber:
2240-88-2
MolecularFormula:
C3H5F3O
MolecularWeight:
114.06640959999999
MdlNumber:
MFCD00190649
Smiles:
OCCC(F)(F)F
NscNumber:
__
Complexity:
48.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.4