CS-0806624
4-(Aminomethyl)-6-(difluoromethyl)-2-(hydroxymethyl)nicotinonitrile
Manufacturer: ChemScene
CAS Number: 1805505-93-4
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Purity
98%
MDL No
MFCD25397498
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₉F₂N₃O
Molecular Weight
213.18
Synonyms
None
SMILES
N#CC1=C(CO)N=C(C(F)F)C=C1CN
Tpsa
82.93
Logp
0.84188
H Acceptors
4
H Donors
2
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: 98%
MDL No: MFCD25397498
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉F₂N₃O
Molecular Weight: 213.18
Synonyms: None
SMILES: N#CC1=C(CO)N=C(C(F)F)C=C1CN
Tpsa: 82.93
Logp: 0.84188
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD25397498
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉F₂N₃O
Molecular Weight:
213.18
Synonyms:
None
SMILES:
N#CC1=C(CO)N=C(C(F)F)C=C1CN
Tpsa:
82.93
Logp:
0.84188
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD23381549
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆BF₃N₂O₃
Molecular Weight: 316.08
Synonyms: None
SMILES: O=C(NC1=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C(F)(F)F
Tpsa: 60.45
Logp: 1.8816
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD23381549
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆BF₃N₂O₃
Molecular Weight:
316.08
Synonyms:
None
SMILES:
O=C(NC1=NC=C(B2OC(C)(C)C(C)(C)O2)C=C1)C(F)(F)F
Tpsa:
60.45
Logp:
1.8816
H Acceptors:
4
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: C₂₆H₂₆BNO₂
Molecular Weight: 395.30
Synonyms: None
SMILES: CC1(C)C(C)(C)OB(C2=CC=CC3=C2NC(C4=CC=CC=C4)=C3C5=CC=CC=C5)O1
Tpsa: 34.25
Logp: 5.8011
H Acceptors: 2
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:
C₂₆H₂₆BNO₂
Molecular Weight:
395.30
Synonyms:
None
SMILES:
CC1(C)C(C)(C)OB(C2=CC=CC3=C2NC(C4=CC=CC=C4)=C3C5=CC=CC=C5)O1
Tpsa:
34.25
Logp:
5.8011
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD27935513
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇BFNO₂
Molecular Weight: 178.96
Synonyms: None
SMILES: FC1=CC(CC#N)=CC=C1B(O)O
Tpsa: 64.25
Logp: -0.42842
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD27935513
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇BFNO₂
Molecular Weight:
178.96
Synonyms:
None
SMILES:
FC1=CC(CC#N)=CC=C1B(O)O
Tpsa:
64.25
Logp:
-0.42842
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2