AA91929
17360-47-3 | 2-(Dibenzylamino)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA91929
ChemicalName
2-(Dibenzylamino)acetic acid
CasNumber
17360-47-3
MolecularFormula
C16H17NO2
MolecularWeight
255.3117
MdlNumber
MFCD00430035
Smiles
OC(=O)CN(Cc1ccccc1)Cc1ccccc1
NscNumber
15860
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
0.6
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CatalogNumber: AA91929
ChemicalName: 2-(Dibenzylamino)acetic acid
CasNumber: 17360-47-3
MolecularFormula: C16H17NO2
MolecularWeight: 255.3117
MdlNumber: MFCD00430035
Smiles: OC(=O)CN(Cc1ccccc1)Cc1ccccc1
NscNumber: 15860
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 0.6
CatalogNumber:
AA91929
ChemicalName:
2-(Dibenzylamino)acetic acid
CasNumber:
17360-47-3
MolecularFormula:
C16H17NO2
MolecularWeight:
255.3117
MdlNumber:
MFCD00430035
Smiles:
OC(=O)CN(Cc1ccccc1)Cc1ccccc1
NscNumber:
15860
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCN1CC#CCN1CCCC1.O=C1CCCN1CC#CCN1CCCC1.OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O
NscNumber: __
Complexity: 412
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C1CCCN1CC#CCN1CCCC1.O=C1CCCN1CC#CCN1CCCC1.OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O.OC(=O)/C=C/C(=O)O
NscNumber:
__
Complexity:
412
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)[C@H](Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)N
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
OC(=O)[C@H](Cc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O)N
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)Cl
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc2n(c1C)ncc2c1ccc(cc1)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__