CS-0610386
tert-Butyl (4-ethynyl-2-nitrophenyl)carbamate
Manufacturer: ChemScene
CAS Number: 335255-14-6
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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
C₁₃H₁₄N₂O₄
Molecular Weight
262.26
Synonyms
(4-Ethynyl-2-nitro-phenyl)-carbamic acid tert-butyl ester
SMILES
O=C(OC(C)(C)C)NC1=CC=C(C#C)C=C1[N+]([O-])=O
Tpsa
81.47
Logp
2.9231
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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
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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: C₁₃H₁₄N₂O₄
Molecular Weight: 262.26
Synonyms: (4-Ethynyl-2-nitro-phenyl)-carbamic acid tert-butyl ester
SMILES: O=C(OC(C)(C)C)NC1=CC=C(C#C)C=C1[N+]([O-])=O
Tpsa: 81.47
Logp: 2.9231
H Acceptors: 4
H Donors: 1
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:
C₁₃H₁₄N₂O₄
Molecular Weight:
262.26
Synonyms:
(4-Ethynyl-2-nitro-phenyl)-carbamic acid tert-butyl ester
SMILES:
O=C(OC(C)(C)C)NC1=CC=C(C#C)C=C1[N+]([O-])=O
Tpsa:
81.47
Logp:
2.9231
H Acceptors:
4
H Donors:
1
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: C₆H₁₂N₄O₂S
Molecular Weight: 204.25
Synonyms: None
SMILES: O=S(N1N=CC(CN)=C1)(N(C)C)=O
Tpsa: 81.22
Logp: -1.0037
H Acceptors: 5
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:
C₆H₁₂N₄O₂S
Molecular Weight:
204.25
Synonyms:
None
SMILES:
O=S(N1N=CC(CN)=C1)(N(C)C)=O
Tpsa:
81.22
Logp:
-1.0037
H Acceptors:
5
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: C₁₁H₉FO₂
Molecular Weight: 192.19
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(C#C)C=C1F
Tpsa: 26.3
Logp: 1.9837
H Acceptors: 2
H Donors: 0
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:
C₁₁H₉FO₂
Molecular Weight:
192.19
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(C#C)C=C1F
Tpsa:
26.3
Logp:
1.9837
H Acceptors:
2
H Donors:
0
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: C₁₀H₁₀O
Molecular Weight: 146.19
Synonyms: None
SMILES: OCC1=CC=C(C#C)C=C1C
Tpsa: 20.23
Logp: 1.46862
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀O
Molecular Weight:
146.19
Synonyms:
None
SMILES:
OCC1=CC=C(C#C)C=C1C
Tpsa:
20.23
Logp:
1.46862
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1