CS-0057787
5-Oxo-3,4,6,10-tetraaza-tricyclo[6.3.1.02,6]dodec-2-ene-10-carboxylic acid tert-butyl ester
Manufacturer: ChemScene
CAS Number: 1251013-80-5
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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
C₁₃H₂₀N₄O₃
Molecular Weight
280.32
Synonyms
6,10-Methano-1,2,4-triazolo[4,3-a][1,5]diazocine-8(5H)-carboxylic acid, 2,3,6,7,9,10-hexahydro-3-oxo-, 1,1-dimethylethyl ester
SMILES
O=C(N1CC2CN(C(C(C2)C1)=NN3)C3=O)OC(C)(C)C
Tpsa
80.22
Logp
0.9256
H Acceptors
5
H Donors
1
Rotatable Bonds
0
Related Products
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: C₁₃H₂₀N₄O₃
Molecular Weight: 280.32
Synonyms: 6,10-Methano-1,2,4-triazolo[4,3-a][1,5]diazocine-8(5H)-carboxylic acid, 2,3,6,7,9,10-hexahydro-3-oxo-, 1,1-dimethylethyl ester
SMILES: O=C(N1CC2CN(C(C(C2)C1)=NN3)C3=O)OC(C)(C)C
Tpsa: 80.22
Logp: 0.9256
H Acceptors: 5
H Donors: 1
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:
C₁₃H₂₀N₄O₃
Molecular Weight:
280.32
Synonyms:
6,10-Methano-1,2,4-triazolo[4,3-a][1,5]diazocine-8(5H)-carboxylic acid, 2,3,6,7,9,10-hexahydro-3-oxo-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CC2CN(C(C(C2)C1)=NN3)C3=O)OC(C)(C)C
Tpsa:
80.22
Logp:
0.9256
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD10697041
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₆ClN₃
Molecular Weight: 143.57
Synonyms: 4-Pyrimidinemethanamine, 2-chloro- (9CI)
SMILES: NCC1=NC(Cl)=NC=C1
Tpsa: 51.8
Logp: 0.5887
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD10697041
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆ClN₃
Molecular Weight:
143.57
Synonyms:
4-Pyrimidinemethanamine, 2-chloro- (9CI)
SMILES:
NCC1=NC(Cl)=NC=C1
Tpsa:
51.8
Logp:
0.5887
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD19199991
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁NO₂
Molecular Weight: 141.17
Synonyms: None
SMILES: C1CN2CCC1(C2)C(=O)O
Tpsa: 40.54
Logp: 0.1668
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD19199991
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁NO₂
Molecular Weight:
141.17
Synonyms:
None
SMILES:
C1CN2CCC1(C2)C(=O)O
Tpsa:
40.54
Logp:
0.1668
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD06797960
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₃NO₂
Molecular Weight: 155.19
Synonyms: Quinuclidine-3-carboxylic acid
SMILES: C1CN2CCC1C(C2)C(=O)O
Tpsa: 40.54
Logp: 0.4128
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD06797960
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₃NO₂
Molecular Weight:
155.19
Synonyms:
Quinuclidine-3-carboxylic acid
SMILES:
C1CN2CCC1C(C2)C(=O)O
Tpsa:
40.54
Logp:
0.4128
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1