AH12513
67-07-2 | 2-(3-methyl-1-phosphonocarbamimidamido)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AH12513
ChemicalName
2-(3-methyl-1-phosphonocarbamimidamido)acetic acid
CasNumber
67-07-2
MolecularFormula
C4H10N3O5P
MolecularWeight
211.1131
MdlNumber
MFCD00152044
Smiles
OC(=O)CN(C(=N)NP(=O)(O)O)C
Complexity
271
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
4
RotatableBondCount
4
Xlogp3
-2.6
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CatalogNumber: AH12513
ChemicalName: 2-(3-methyl-1-phosphonocarbamimidamido)acetic acid
CasNumber: 67-07-2
MolecularFormula: C4H10N3O5P
MolecularWeight: 211.1131
MdlNumber: MFCD00152044
Smiles: OC(=O)CN(C(=N)NP(=O)(O)O)C
Complexity: 271
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 4
RotatableBondCount: 4
Xlogp3: -2.6
CatalogNumber:
AH12513
ChemicalName:
2-(3-methyl-1-phosphonocarbamimidamido)acetic acid
CasNumber:
67-07-2
MolecularFormula:
C4H10N3O5P
MolecularWeight:
211.1131
MdlNumber:
MFCD00152044
Smiles:
OC(=O)CN(C(=N)NP(=O)(O)O)C
Complexity:
271
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
4
RotatableBondCount:
4
Xlogp3:
-2.6
CatalogNumber: AH12514
ChemicalName: 2-Bromo-3,5-difluoropyridine
CasNumber: 660425-16-1
MolecularFormula: C5H2BrF2N
MolecularWeight: 193.9769
MdlNumber: MFCD03840197
Smiles: Fc1cnc(c(c1)F)Br
Complexity: 101
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AH12514
ChemicalName:
2-Bromo-3,5-difluoropyridine
CasNumber:
660425-16-1
MolecularFormula:
C5H2BrF2N
MolecularWeight:
193.9769
MdlNumber:
MFCD03840197
Smiles:
Fc1cnc(c(c1)F)Br
Complexity:
101
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: AH12518
ChemicalName: Boc-L-DAP-OH
CasNumber: 73259-81-1
MolecularFormula: C8H16N2O4
MolecularWeight: 204.2236
MdlNumber: MFCD00236843
Smiles: NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 222
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: -2.7
CatalogNumber:
AH12518
ChemicalName:
Boc-L-DAP-OH
CasNumber:
73259-81-1
MolecularFormula:
C8H16N2O4
MolecularWeight:
204.2236
MdlNumber:
MFCD00236843
Smiles:
NC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
222
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
-2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(nc1)N1CCNCC1
Complexity: 159
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(nc1)N1CCNCC1
Complexity:
159
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3