CS-M3121
sodium (E)-4-(N,N,N'-tris(tert-butoxycarbonyl)carbamimidoyl)benzoate
Manufacturer: ChemScene
CAS Number: None
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Purity
98%
MDL No
None
Storage
4°C, sealed storage, away from moisture
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₃H₃₁N₂NaO₈
Molecular Weight
486.49
Synonyms
None
SMILES
O=C([O-])C1=CC=C(/C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=N\C(OC(C)(C)C)=O)C=C1.[Na+]
Tpsa
134.63
Logp
0.908
H Acceptors
8
H Donors
0
Rotatable Bonds
2
Other Options
...
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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: 4°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₁N₂NaO₈
Molecular Weight: 486.49
Synonyms: None
SMILES: O=C([O-])C1=CC=C(/C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=N\C(OC(C)(C)C)=O)C=C1.[Na+]
Tpsa: 134.63
Logp: 0.908
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₁N₂NaO₈
Molecular Weight:
486.49
Synonyms:
None
SMILES:
O=C([O-])C1=CC=C(/C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=N\C(OC(C)(C)C)=O)C=C1.[Na+]
Tpsa:
134.63
Logp:
0.908
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇ClF₃N₃O₂
Molecular Weight: 351.75
Synonyms: N-2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl-3-(trifluoromethyl)benzamide hydrochloride
SMILES: O=C(NCC(N1C[C@@H](N)CC1)=O)C2=CC=CC(C(F)(F)F)=C2.Cl
Tpsa: 75.43
Logp: 1.4166
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇ClF₃N₃O₂
Molecular Weight:
351.75
Synonyms:
N-2-[(3S)-3-aminopyrrolidin-1-yl]-2-oxoethyl-3-(trifluoromethyl)benzamide hydrochloride
SMILES:
O=C(NCC(N1C[C@@H](N)CC1)=O)C2=CC=CC(C(F)(F)F)=C2.Cl
Tpsa:
75.43
Logp:
1.4166
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₅NO₄
Molecular Weight: 189.21
Synonyms: None
SMILES: CC(C)[C@@H](NC(OC)=O)C(OC)=O
Tpsa: 64.63
Logp: 0.54
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₅NO₄
Molecular Weight:
189.21
Synonyms:
None
SMILES:
CC(C)[C@@H](NC(OC)=O)C(OC)=O
Tpsa:
64.63
Logp:
0.54
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₄₆O₂Si
Molecular Weight: 394.71
Synonyms: None
SMILES: C[C@]1(CCC2)[C@](CC[C@@H]1[C@@H](CCCC(C)(O[Si](CC)(CC)CC)C)C)([H])C2=O
Tpsa: 26.3
Logp: 7.3787
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₄₆O₂Si
Molecular Weight:
394.71
Synonyms:
None
SMILES:
C[C@]1(CCC2)[C@](CC[C@@H]1[C@@H](CCCC(C)(O[Si](CC)(CC)CC)C)C)([H])C2=O
Tpsa:
26.3
Logp:
7.3787
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
10