CS-1002171
3-[(3-Amino-4-fluorophenyl)hydroxymethyl]benzonitrile
Manufacturer: ChemScene
CAS Number: 1809015-77-7
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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
C₁₄H₁₁FN₂O
Molecular Weight
242.25
Synonyms
None
SMILES
N#CC1=CC=CC(=C1)C(O)C2=CC=C(F)C(N)=C2
Tpsa
70.04
Logp
2.36128
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₄H₁₁FN₂O
Molecular Weight: 242.25
Synonyms: None
SMILES: N#CC1=CC=CC(=C1)C(O)C2=CC=C(F)C(N)=C2
Tpsa: 70.04
Logp: 2.36128
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:
C₁₄H₁₁FN₂O
Molecular Weight:
242.25
Synonyms:
None
SMILES:
N#CC1=CC=CC(=C1)C(O)C2=CC=C(F)C(N)=C2
Tpsa:
70.04
Logp:
2.36128
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: C₃₁H₂₇F₄N₅O₄
Molecular Weight: 609.57
Synonyms: None
SMILES: N#CC1=CC=CC(=C1)C(O)C2=CC=C(F)C(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F
Tpsa: 129.27
Logp: 6.26058
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₂₇F₄N₅O₄
Molecular Weight:
609.57
Synonyms:
None
SMILES:
N#CC1=CC=CC(=C1)C(O)C2=CC=C(F)C(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F
Tpsa:
129.27
Logp:
6.26058
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₅H₃₄F₄N₆O₃
Molecular Weight: 662.68
Synonyms: None
SMILES: N#CC1=CC=CC(=C1)C(NCC2CC2)C3=CC=C(F)C(=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CNC(=O)OC(C)(C)C)C(F)(F)F
Tpsa: 121.07
Logp: 7.26788
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₄F₄N₆O₃
Molecular Weight:
662.68
Synonyms:
None
SMILES:
N#CC1=CC=CC(=C1)C(NCC2CC2)C3=CC=C(F)C(=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CNC(=O)OC(C)(C)C)C(F)(F)F
Tpsa:
121.07
Logp:
7.26788
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₂N₂O₄
Molecular Weight: 424.53
Synonyms: None
SMILES: [C@H](NC(CC1=CC(O)=C(C(O)=O)C=C1)=O)(CC(C)C)C2=C(C=CC=C2)N3CCCCC3
Tpsa: 89.87
Logp: 4.5268
H Acceptors: 4
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₂N₂O₄
Molecular Weight:
424.53
Synonyms:
None
SMILES:
[C@H](NC(CC1=CC(O)=C(C(O)=O)C=C1)=O)(CC(C)C)C2=C(C=CC=C2)N3CCCCC3
Tpsa:
89.87
Logp:
4.5268
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
8