CS-0127924
(E)-4-(3,3-Difluoroazetidin-1-yl)but-2-enoic acid hydrochloride
Manufacturer: ChemScene
CAS Number: 1508257-75-7
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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
C₇H₁₀ClF₂NO₂
Molecular Weight
213.61
Synonyms
None
SMILES
OC(/C=C/CN1CC(F)(F)C1)=O.[H]Cl
Tpsa
40.54
Logp
0.9999
H Acceptors
2
H Donors
1
Rotatable Bonds
3
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: C₇H₁₀ClF₂NO₂
Molecular Weight: 213.61
Synonyms: None
SMILES: OC(/C=C/CN1CC(F)(F)C1)=O.[H]Cl
Tpsa: 40.54
Logp: 0.9999
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:
C₇H₁₀ClF₂NO₂
Molecular Weight:
213.61
Synonyms:
None
SMILES:
OC(/C=C/CN1CC(F)(F)C1)=O.[H]Cl
Tpsa:
40.54
Logp:
0.9999
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: C₉H₁₄ClF₂NO₂
Molecular Weight: 241.66
Synonyms: 4-(4,4-Difluoropiperidin-1-yl)-but-2-enoic acid hydrochloride
SMILES: O=C(O)/C=C/CN1CCC(F)(F)CC1.[H]Cl
Tpsa: 40.54
Logp: 1.7801
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:
C₉H₁₄ClF₂NO₂
Molecular Weight:
241.66
Synonyms:
4-(4,4-Difluoropiperidin-1-yl)-but-2-enoic acid hydrochloride
SMILES:
O=C(O)/C=C/CN1CCC(F)(F)CC1.[H]Cl
Tpsa:
40.54
Logp:
1.7801
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD09994026
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₃BrClN₃
Molecular Weight: 232.47
Synonyms: None
SMILES: ClC1=NN=C2C=CC(Br)=CN21
Tpsa: 30.19
Logp: 2.1452
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD09994026
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₃BrClN₃
Molecular Weight:
232.47
Synonyms:
None
SMILES:
ClC1=NN=C2C=CC(Br)=CN21
Tpsa:
30.19
Logp:
2.1452
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: C₃₆H₅₁N₃O₇
Molecular Weight: 637.81
Synonyms: None
SMILES: CN([C@H]([C@@H](OC)CC(O)=O)[C@@H](C)CC)C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C)=O)=O
Tpsa: 125.48
Logp: 5.3955
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₅₁N₃O₇
Molecular Weight:
637.81
Synonyms:
None
SMILES:
CN([C@H]([C@@H](OC)CC(O)=O)[C@@H](C)CC)C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C)=O)=O
Tpsa:
125.48
Logp:
5.3955
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
15