AB74749
628-87-5 | Iminodiacetonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB74749
ChemicalName
Iminodiacetonitrile
CasNumber
628-87-5
MolecularFormula
C4H5N3
MolecularWeight
95.1026
MdlNumber
MFCD00001887
Smiles
N#CCNCC#N
NscNumber
263496
Complexity
104
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.6
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CatalogNumber: AB74749
ChemicalName: Iminodiacetonitrile
CasNumber: 628-87-5
MolecularFormula: C4H5N3
MolecularWeight: 95.1026
MdlNumber: MFCD00001887
Smiles: N#CCNCC#N
NscNumber: 263496
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AB74749
ChemicalName:
Iminodiacetonitrile
CasNumber:
628-87-5
MolecularFormula:
C4H5N3
MolecularWeight:
95.1026
MdlNumber:
MFCD00001887
Smiles:
N#CCNCC#N
NscNumber:
263496
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: AB74750
ChemicalName: 5H-Dibenzo[b,f]azepine-5-carbonyl chloride
CasNumber: 33948-22-0
MolecularFormula: C15H10ClNO
MolecularWeight: 255.699
MdlNumber: MFCD00792462
Smiles: ClC(=O)N1c2ccccc2C=Cc2c1cccc2
NscNumber: __
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
AB74750
ChemicalName:
5H-Dibenzo[b,f]azepine-5-carbonyl chloride
CasNumber:
33948-22-0
MolecularFormula:
C15H10ClNO
MolecularWeight:
255.699
MdlNumber:
MFCD00792462
Smiles:
ClC(=O)N1c2ccccc2C=Cc2c1cccc2
NscNumber:
__
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(P(=N)(N(C)C)N(C)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(P(=N)(N(C)C)N(C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB74752
ChemicalName: (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
CasNumber: 74431-23-5
MolecularFormula: C12H19N3O5S
MolecularWeight: 317.36136
MdlNumber: MFCD09753321
Smiles: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O
NscNumber: __
Complexity: 491
Covalently-bondedUnitCount: 2
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AB74752
ChemicalName:
(5R,6S)-6-[(1R)-1-hydroxyethyl]-3-[(2-methanimidamidoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate
CasNumber:
74431-23-5
MolecularFormula:
C12H19N3O5S
MolecularWeight:
317.36136
MdlNumber:
MFCD09753321
Smiles:
C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O
NscNumber:
__
Complexity:
491
Covalently-bondedUnitCount:
2
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
6
Xlogp3:
__