CS-0375061
tert-Butyl 4-(3-(cyanomethylene)azetidin-1-yl)-4-methylpiperidine-1-carboxylate
Manufacturer: ChemScene
CAS Number: 1334303-51-3
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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
C₁₆H₂₅N₃O₂
Molecular Weight
291.39
Synonyms
1-Piperidinecarboxylic acid, 4-[3-(cyanomethylene)-1-azetidinyl]-4-methyl-, 1,1-dimethylethyl ester
SMILES
O=C(N1CCC(C)(N2C/C(C2)=C/C#N)CC1)OC(C)(C)C
Tpsa
56.57
Logp
2.54158
H Acceptors
4
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: C₁₆H₂₅N₃O₂
Molecular Weight: 291.39
Synonyms: 1-Piperidinecarboxylic acid, 4-[3-(cyanomethylene)-1-azetidinyl]-4-methyl-, 1,1-dimethylethyl ester
SMILES: O=C(N1CCC(C)(N2C/C(C2)=C/C#N)CC1)OC(C)(C)C
Tpsa: 56.57
Logp: 2.54158
H Acceptors: 4
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:
C₁₆H₂₅N₃O₂
Molecular Weight:
291.39
Synonyms:
1-Piperidinecarboxylic acid, 4-[3-(cyanomethylene)-1-azetidinyl]-4-methyl-, 1,1-dimethylethyl ester
SMILES:
O=C(N1CCC(C)(N2C/C(C2)=C/C#N)CC1)OC(C)(C)C
Tpsa:
56.57
Logp:
2.54158
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD18255558
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂BNO₂
Molecular Weight: 165.00
Synonyms: 4-Isopropylpyridin-3-ylboronic acid
SMILES: CC(C1=C(B(O)O)C=NC=C1)C
Tpsa: 53.35
Logp: -0.1152
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD18255558
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂BNO₂
Molecular Weight:
165.00
Synonyms:
4-Isopropylpyridin-3-ylboronic acid
SMILES:
CC(C1=C(B(O)O)C=NC=C1)C
Tpsa:
53.35
Logp:
-0.1152
H Acceptors:
3
H Donors:
2
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: C₉H₆F₄O
Molecular Weight: 206.14
Synonyms: None
SMILES: O=CC1=CC(F)=CC(F)=C1CC(F)F
Tpsa: 17.07
Logp: 2.5849
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆F₄O
Molecular Weight:
206.14
Synonyms:
None
SMILES:
O=CC1=CC(F)=CC(F)=C1CC(F)F
Tpsa:
17.07
Logp:
2.5849
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇F₄NO₃
Molecular Weight: 253.15
Synonyms: None
SMILES: O=C(O)C(C)C1=CC(OC(F)(F)F)=NC=C1F
Tpsa: 59.42
Logp: 2.3074
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇F₄NO₃
Molecular Weight:
253.15
Synonyms:
None
SMILES:
O=C(O)C(C)C1=CC(OC(F)(F)F)=NC=C1F
Tpsa:
59.42
Logp:
2.3074
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3