AI65379
96989-37-6 | 3-Chloro-2-methylpropan-1-amine hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AI65379
ChemicalName
3-Chloro-2-methylpropan-1-amine hydrochloride
CasNumber
96989-37-6
MolecularFormula
C4H11Cl2N
MolecularWeight
144.0428
MdlNumber
MFCD25509409
Smiles
NCC(CCl)C.Cl
Complexity
30.7
Covalently-bondedUnitCount
2
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI65379
ChemicalName: 3-Chloro-2-methylpropan-1-amine hydrochloride
CasNumber: 96989-37-6
MolecularFormula: C4H11Cl2N
MolecularWeight: 144.0428
MdlNumber: MFCD25509409
Smiles: NCC(CCl)C.Cl
Complexity: 30.7
Covalently-bondedUnitCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI65379
ChemicalName:
3-Chloro-2-methylpropan-1-amine hydrochloride
CasNumber:
96989-37-6
MolecularFormula:
C4H11Cl2N
MolecularWeight:
144.0428
MdlNumber:
MFCD25509409
Smiles:
NCC(CCl)C.Cl
Complexity:
30.7
Covalently-bondedUnitCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O
Complexity: __
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HeavyAtomCount: __
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Smiles:
OC(=O)[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3CC=C3[C@@]2(C)CC[C@@]2([C@H]3CC(C)(C)CC2)C(=O)O)C)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Smiles: CN(c1c(Cl)cccc1[N+](=O)[O-])C
Complexity: __
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Smiles:
CN(c1c(Cl)cccc1[N+](=O)[O-])C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)OC([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(c1ccccc1)O[C@@H]1[C@@H](COC(=O)c2ccccc2)OC([C@H]([C@H]1OC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__