AI64113
952674-76-9 | tert-Butyl 1h-pyrazol-3-ylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AI64113
ChemicalName
tert-Butyl 1h-pyrazol-3-ylcarbamate
CasNumber
952674-76-9
MolecularFormula
C8H13N3O2
MolecularWeight
183.20772
MdlNumber
MFCD14635783
Smiles
O=C(N=c1cc[nH][nH]1)OC(C)(C)C
Complexity
188
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AI64113
ChemicalName: tert-Butyl 1h-pyrazol-3-ylcarbamate
CasNumber: 952674-76-9
MolecularFormula: C8H13N3O2
MolecularWeight: 183.20772
MdlNumber: MFCD14635783
Smiles: O=C(N=c1cc[nH][nH]1)OC(C)(C)C
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AI64113
ChemicalName:
tert-Butyl 1h-pyrazol-3-ylcarbamate
CasNumber:
952674-76-9
MolecularFormula:
C8H13N3O2
MolecularWeight:
183.20772
MdlNumber:
MFCD14635783
Smiles:
O=C(N=c1cc[nH][nH]1)OC(C)(C)C
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: AI64114
ChemicalName: 2-(Azetidin-3-yl)acetic acid hydrochloride
CasNumber: 952675-30-8
MolecularFormula: C5H10ClNO2
MolecularWeight: 151.5914
MdlNumber: MFCD11867905
Smiles: OC(=O)CC1CNC1.Cl
Complexity: 98.6
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AI64114
ChemicalName:
2-(Azetidin-3-yl)acetic acid hydrochloride
CasNumber:
952675-30-8
MolecularFormula:
C5H10ClNO2
MolecularWeight:
151.5914
MdlNumber:
MFCD11867905
Smiles:
OC(=O)CC1CNC1.Cl
Complexity:
98.6
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)Oc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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:
CCOC(=O)CC1CC2(CCN(CC2)C(=O)OC(C)(C)C)Oc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NC[C@@H]1C[C@H]1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NC[C@@H]1C[C@H]1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__