CS-1141999
4-((2-Methylcyclopropyl)methoxy)benzonitrile
Manufacturer: ChemScene
CAS Number: 1823953-81-6
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₃NO
Molecular Weight
187.24
Synonyms
None
SMILES
N#CC1=CC=C(OCC2CC2C)C=C1
Tpsa
33.02
Logp
2.59308
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃NO
Molecular Weight: 187.24
Synonyms: None
SMILES: N#CC1=CC=C(OCC2CC2C)C=C1
Tpsa: 33.02
Logp: 2.59308
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃NO
Molecular Weight:
187.24
Synonyms:
None
SMILES:
N#CC1=CC=C(OCC2CC2C)C=C1
Tpsa:
33.02
Logp:
2.59308
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD01075131
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₅₃NO₁₄
Molecular Weight: 831.90
Synonyms: None
SMILES: O=C(/C(C)=C/C)N[C@@H](C1=CC=CC=C1)[C@H](C(O[C@@H]2C(C)=C([C@@H](OC(C)=O)C([C@@]3(C)[C@]([C@](OC(C)=O)(CO4)[C@H]4C[C@@H]3O)([H])[C@@H]5OC(C6=CC=CC=C6)=O)=O)C(C)(C)[C@@]5(O)C2)=O)O
Tpsa: 221.29
Logp: 3.3881
H Acceptors: 14
H Donors: 4
Rotatable Bonds: 10
Purity:
98%
MDL No:
MFCD01075131
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₅₃NO₁₄
Molecular Weight:
831.90
Synonyms:
None
SMILES:
O=C(/C(C)=C/C)N[C@@H](C1=CC=CC=C1)[C@H](C(O[C@@H]2C(C)=C([C@@H](OC(C)=O)C([C@@]3(C)[C@]([C@](OC(C)=O)(CO4)[C@H]4C[C@@H]3O)([H])[C@@H]5OC(C6=CC=CC=C6)=O)=O)C(C)(C)[C@@]5(O)C2)=O)O
Tpsa:
221.29
Logp:
3.3881
H Acceptors:
14
H Donors:
4
Rotatable Bonds:
10
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄F₂N₂O₄
Molecular Weight: 218.12
Synonyms: None
SMILES: O=CC=1N=C(C(=CC1O)N(=O)=O)C(F)F
Tpsa: 93.33
Logp: 1.4455
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄F₂N₂O₄
Molecular Weight:
218.12
Synonyms:
None
SMILES:
O=CC=1N=C(C(=CC1O)N(=O)=O)C(F)F
Tpsa:
93.33
Logp:
1.4455
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄F₃N₃
Molecular Weight: 187.13
Synonyms: None
SMILES: N#CC=1N=C(N)C(F)=C(C1)C(F)F
Tpsa: 62.7
Logp: 1.61218
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄F₃N₃
Molecular Weight:
187.13
Synonyms:
None
SMILES:
N#CC=1N=C(N)C(F)=C(C1)C(F)F
Tpsa:
62.7
Logp:
1.61218
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1