CS-0130679
(1R,5S,6s)-6-(4H-1,2,4-Triazol-4-yl)-3-azabicyclo[3.1.0]hexane dihydrochloride
Manufacturer: ChemScene
CAS Number: 2415312-61-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇H₁₂Cl₂N₄
Molecular Weight
223.10
Synonyms
None
SMILES
[H][C@@]1([C@H]2N3C=NN=C3)[C@@]2([H])CNC1.[H]Cl.[H]Cl
Tpsa
42.74
Logp
0.512
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂Cl₂N₄
Molecular Weight: 223.10
Synonyms: None
SMILES: [H][C@@]1([C@H]2N3C=NN=C3)[C@@]2([H])CNC1.[H]Cl.[H]Cl
Tpsa: 42.74
Logp: 0.512
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂Cl₂N₄
Molecular Weight:
223.10
Synonyms:
None
SMILES:
[H][C@@]1([C@H]2N3C=NN=C3)[C@@]2([H])CNC1.[H]Cl.[H]Cl
Tpsa:
42.74
Logp:
0.512
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁BrN₂O₃
Molecular Weight: 311.13
Synonyms: 1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-, ethyl ester
SMILES: O=C(C1=CN(C)C2=NC=C(Br)C=C2C1=O)OCC
Tpsa: 61.19
Logp: 1.8727
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁BrN₂O₃
Molecular Weight:
311.13
Synonyms:
1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,4-dihydro-1-methyl-4-oxo-, ethyl ester
SMILES:
O=C(C1=CN(C)C2=NC=C(Br)C=C2C1=O)OCC
Tpsa:
61.19
Logp:
1.8727
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₃₂BNO₅
Molecular Weight: 389.29
Synonyms: INDEX NAME NOT YET ASSIGNED
SMILES: O=C(OC(C)(C)C)NC1CCCOC2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C12
Tpsa: 66.02
Logp: 3.7242
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₂BNO₅
Molecular Weight:
389.29
Synonyms:
INDEX NAME NOT YET ASSIGNED
SMILES:
O=C(OC(C)(C)C)NC1CCCOC2=CC(B3OC(C)(C)C(C)(C)O3)=CC=C12
Tpsa:
66.02
Logp:
3.7242
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₂N₂O₂
Molecular Weight: 156.18
Synonyms: None
SMILES: [H][C@]12CCNC[C@@](NC(CO2)=O)1[H]
Tpsa: 50.36
Logp: -1.1367
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₂N₂O₂
Molecular Weight:
156.18
Synonyms:
None
SMILES:
[H][C@]12CCNC[C@@](NC(CO2)=O)1[H]
Tpsa:
50.36
Logp:
-1.1367
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
0