CS-0775696
tert-Butyl (Z)-4-(cyanomethylene)azepane-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2879298-53-8
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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
C₁₃H₂₀N₂O₂
Molecular Weight
236.31
Synonyms
None
SMILES
O=C(N1CC/C(CCC1)=C\C#N)OC(C)(C)C
Tpsa
53.33
Logp
2.85738
H Acceptors
3
H Donors
0
Rotatable Bonds
0
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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: C₁₃H₂₀N₂O₂
Molecular Weight: 236.31
Synonyms: None
SMILES: O=C(N1CC/C(CCC1)=C\C#N)OC(C)(C)C
Tpsa: 53.33
Logp: 2.85738
H Acceptors: 3
H Donors: 0
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:
C₁₃H₂₀N₂O₂
Molecular Weight:
236.31
Synonyms:
None
SMILES:
O=C(N1CC/C(CCC1)=C\C#N)OC(C)(C)C
Tpsa:
53.33
Logp:
2.85738
H Acceptors:
3
H Donors:
0
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: C₁₁H₁₀O₃
Molecular Weight: 190.20
Synonyms: None
SMILES: O=CC1(C2=CC=C(OCO3)C3=C2)CC1
Tpsa: 35.53
Logp: 1.6458
H Acceptors: 3
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:
C₁₁H₁₀O₃
Molecular Weight:
190.20
Synonyms:
None
SMILES:
O=CC1(C2=CC=C(OCO3)C3=C2)CC1
Tpsa:
35.53
Logp:
1.6458
H Acceptors:
3
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: C₁₁H₁₃BrO
Molecular Weight: 241.12
Synonyms: None
SMILES: COC1=CC=C(C2(CBr)CC2)C=C1
Tpsa: 9.23
Logp: 3.1217
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:
C₁₁H₁₃BrO
Molecular Weight:
241.12
Synonyms:
None
SMILES:
COC1=CC=C(C2(CBr)CC2)C=C1
Tpsa:
9.23
Logp:
3.1217
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: C₁₀H₉BrFNO
Molecular Weight: 258.09
Synonyms: None
SMILES: O=C1NC(C)(C)C2=C1C=C(F)C(Br)=C2
Tpsa: 29.1
Logp: 2.5667
H Acceptors: 1
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:
C₁₀H₉BrFNO
Molecular Weight:
258.09
Synonyms:
None
SMILES:
O=C1NC(C)(C)C2=C1C=C(F)C(Br)=C2
Tpsa:
29.1
Logp:
2.5667
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0