CS-0540439
Tert-butyl 3-(1H-1,2,4-triazol-1-yl)piperidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 156113-72-3
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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
C₁₂H₂₀N₄O₂
Molecular Weight
252.31
Synonyms
1-Piperidinecarboxylic acid, 3-(1H-1,2,4-triazol-1-yl)-, 1,1-dimethylethyl ester
SMILES
O=C(N1CC(N2N=CN=C2)CCC1)OC(C)(C)C
Tpsa
60.25
Logp
1.8501
H Acceptors
5
H Donors
0
Rotatable Bonds
1
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: C₁₂H₂₀N₄O₂
Molecular Weight: 252.31
Synonyms: 1-Piperidinecarboxylic acid, 3-(1H-1,2,4-triazol-1-yl)-, 1,1-dimethylethyl ester
SMILES: O=C(N1CC(N2N=CN=C2)CCC1)OC(C)(C)C
Tpsa: 60.25
Logp: 1.8501
H Acceptors: 5
H Donors: 0
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:
C₁₂H₂₀N₄O₂
Molecular Weight:
252.31
Synonyms:
1-Piperidinecarboxylic acid, 3-(1H-1,2,4-triazol-1-yl)-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CC(N2N=CN=C2)CCC1)OC(C)(C)C
Tpsa:
60.25
Logp:
1.8501
H Acceptors:
5
H Donors:
0
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: C₁₂H₂₀N₄O₂
Molecular Weight: 252.31
Synonyms: 1-Piperidinecarboxylic acid, 3-(1H-1,2,3-triazol-1-yl)-, 1,1-dimethylethyl ester
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)N2C=CN=N2
Tpsa: 60.25
Logp: 1.8501
H Acceptors: 5
H Donors: 0
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:
C₁₂H₂₀N₄O₂
Molecular Weight:
252.31
Synonyms:
1-Piperidinecarboxylic acid, 3-(1H-1,2,3-triazol-1-yl)-, 1,1-dimethylethyl ester
SMILES:
CC(C)(C)OC(=O)N1CCCC(C1)N2C=CN=N2
Tpsa:
60.25
Logp:
1.8501
H Acceptors:
5
H Donors:
0
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: C₁₀H₁₃N
Molecular Weight: 147.22
Synonyms: None
SMILES: C1C(C1C2=CC=CC=C2)CN
Tpsa: 26.02
Logp: 1.7488
H Acceptors: 1
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:
C₁₀H₁₃N
Molecular Weight:
147.22
Synonyms:
None
SMILES:
C1C(C1C2=CC=CC=C2)CN
Tpsa:
26.02
Logp:
1.7488
H Acceptors:
1
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: C₅H₉NaO₄S
Molecular Weight: 188.18
Synonyms: None
SMILES: O=S(CC1OCCC1)([O-])=O.[Na+]
Tpsa: 66.43
Logp: -3.2854
H Acceptors: 4
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:
C₅H₉NaO₄S
Molecular Weight:
188.18
Synonyms:
None
SMILES:
O=S(CC1OCCC1)([O-])=O.[Na+]
Tpsa:
66.43
Logp:
-3.2854
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2