CS-0011950
4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester
Manufacturer: ChemScene
CAS Number: 245061-00-1
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₉NO₄
Molecular Weight
241.28
Synonyms
None
SMILES
C#CCC(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa
64.63
Logp
1.4661
H Acceptors
4
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 245061-00-1 | 4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, ethyl ester | A2B Chem | -- |
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₉NO₄
Molecular Weight: 241.28
Synonyms: None
SMILES: C#CCC(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa: 64.63
Logp: 1.4661
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₉NO₄
Molecular Weight:
241.28
Synonyms:
None
SMILES:
C#CCC(NC(OC(C)(C)C)=O)C(OCC)=O
Tpsa:
64.63
Logp:
1.4661
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD28411486
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₀Cl₂O₂
Molecular Weight: 375.29
Synonyms: None
SMILES: O=C1[C@@](C)(CC=C)C[C@H](C2=CC=CC(Cl)=C2)[C@H](C3=CC=C(Cl)C=C3)O1
Tpsa: 26.3
Logp: 6.3476
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD28411486
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₀Cl₂O₂
Molecular Weight:
375.29
Synonyms:
None
SMILES:
O=C1[C@@](C)(CC=C)C[C@H](C2=CC=CC(Cl)=C2)[C@H](C3=CC=C(Cl)C=C3)O1
Tpsa:
26.3
Logp:
6.3476
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₀Cl₂F₃NO₄S
Molecular Weight: 592.50
Synonyms: None
SMILES: C[C@]1(CC=C)C(OC[C@@H]2C(C)C)=[N+]2[C@@H](C3=CC=C(Cl)C=C3)[C@H](C4=CC=CC(Cl)=C4)C1.O=S(C(F)(F)F)([O-])=O
Tpsa: 69.44
Logp: 7.3216
H Acceptors: 4
H Donors: 0
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:
C₂₇H₃₀Cl₂F₃NO₄S
Molecular Weight:
592.50
Synonyms:
None
SMILES:
C[C@]1(CC=C)C(OC[C@@H]2C(C)C)=[N+]2[C@@H](C3=CC=C(Cl)C=C3)[C@H](C4=CC=CC(Cl)=C4)C1.O=S(C(F)(F)F)([O-])=O
Tpsa:
69.44
Logp:
7.3216
H Acceptors:
4
H Donors:
0
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: C₂₉H₃₇Cl₂NO₃S
Molecular Weight: 550.58
Synonyms: None
SMILES: O=C1N([C@@H](C(C)C)CS(=O)(C(C)C)=O)[C@@H](C2=CC=C(Cl)C=C2)[C@H](C3=CC=CC(Cl)=C3)C[C@]1(CC=C)C
Tpsa: 54.45
Logp: 7.4808
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₇Cl₂NO₃S
Molecular Weight:
550.58
Synonyms:
None
SMILES:
O=C1N([C@@H](C(C)C)CS(=O)(C(C)C)=O)[C@@H](C2=CC=C(Cl)C=C2)[C@H](C3=CC=CC(Cl)=C3)C[C@]1(CC=C)C
Tpsa:
54.45
Logp:
7.4808
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
9