CS-0179831
Ethyl (S)-4-amino-3-fluoro-5-((oxetan-2-ylmethyl)amino)benzoate
Manufacturer: ChemScene
CAS Number: 2641113-27-9
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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
C₁₃H₁₇FN₂O₃
Molecular Weight
268.28
Synonyms
None
SMILES
O=C(OCC)C1=CC(NC[C@H]2OCC2)=C(N)C(F)=C1
Tpsa
73.58
Logp
1.7854
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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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: C₁₃H₁₇FN₂O₃
Molecular Weight: 268.28
Synonyms: None
SMILES: O=C(OCC)C1=CC(NC[C@H]2OCC2)=C(N)C(F)=C1
Tpsa: 73.58
Logp: 1.7854
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇FN₂O₃
Molecular Weight:
268.28
Synonyms:
None
SMILES:
O=C(OCC)C1=CC(NC[C@H]2OCC2)=C(N)C(F)=C1
Tpsa:
73.58
Logp:
1.7854
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD00672378
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₇NO₆S
Molecular Weight: 185.16
Synonyms: None
SMILES: OC([C@@H](N)COS(=O)(O)=O)=O
Tpsa: 126.92
Logp: -1.7823
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD00672378
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃H₇NO₆S
Molecular Weight:
185.16
Synonyms:
None
SMILES:
OC([C@@H](N)COS(=O)(O)=O)=O
Tpsa:
126.92
Logp:
-1.7823
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: -20°C, protect from light, stored under nitrogen
Shipping: Shipping with dry ice.
Molecular Formula: C₂₄H₄₀N₇O₁₈P₃S
Molecular Weight: 839.60
Synonyms: None
SMILES: O[C@H]1[C@](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C(O)C)=O)=O)=O)(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2
Tpsa: 383.86
Logp: -1.9545
H Acceptors: 20
H Donors: 10
Rotatable Bonds: 20
Purity:
98%
MDL No:
None
Storage:
-20°C, protect from light, stored under nitrogen
Shipping:
Shipping with dry ice.
Molecular Formula:
C₂₄H₄₀N₇O₁₈P₃S
Molecular Weight:
839.60
Synonyms:
None
SMILES:
O[C@H]1[C@](O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C(O)C)=O)=O)=O)(O)=O)(O)=O)([H])N2C3=NC=NC(N)=C3N=C2
Tpsa:
383.86
Logp:
-1.9545
H Acceptors:
20
H Donors:
10
Rotatable Bonds:
20
Purity: 98%
MDL No: MFCD09041124
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆F₂N₂
Molecular Weight: 168.14
Synonyms: amino(2,4-difluorophenyl)acetonitrile
SMILES: N#CC(C1=CC=C(C=C1F)F)N
Tpsa: 49.81
Logp: 1.48818
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD09041124
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆F₂N₂
Molecular Weight:
168.14
Synonyms:
amino(2,4-difluorophenyl)acetonitrile
SMILES:
N#CC(C1=CC=C(C=C1F)F)N
Tpsa:
49.81
Logp:
1.48818
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1