CS-0910552
Methyl 2-(3-amino-2-cyanophenyl)acetate
Manufacturer: ChemScene
CAS Number: 1557003-57-2
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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
C₁₀H₁₀N₂O₂
Molecular Weight
190.20
Synonyms
None
SMILES
O=C(OC)CC1=CC=CC(N)=C1C#N
Tpsa
76.11
Logp
0.85598
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀N₂O₂
Molecular Weight: 190.20
Synonyms: None
SMILES: O=C(OC)CC1=CC=CC(N)=C1C#N
Tpsa: 76.11
Logp: 0.85598
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₂O₂
Molecular Weight:
190.20
Synonyms:
None
SMILES:
O=C(OC)CC1=CC=CC(N)=C1C#N
Tpsa:
76.11
Logp:
0.85598
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: C₁₁H₈ClNO₂
Molecular Weight: 221.64
Synonyms: None
SMILES: O=C(C1=C2N=C(C)C=CC2=C(Cl)C=C1)O
Tpsa: 50.19
Logp: 2.89482
H Acceptors: 2
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:
C₁₁H₈ClNO₂
Molecular Weight:
221.64
Synonyms:
None
SMILES:
O=C(C1=C2N=C(C)C=CC2=C(Cl)C=C1)O
Tpsa:
50.19
Logp:
2.89482
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₂₃N₃O₇S
Molecular Weight: 425.46
Synonyms: None
SMILES: [O-][N+](C1=NC=CN1CC(COS(=O)(C2=CC=C(C)C=C2)=O)OC3OCCCC3)=O
Tpsa: 122.79
Logp: 2.41702
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 9
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₃N₃O₇S
Molecular Weight:
425.46
Synonyms:
None
SMILES:
[O-][N+](C1=NC=CN1CC(COS(=O)(C2=CC=C(C)C=C2)=O)OC3OCCCC3)=O
Tpsa:
122.79
Logp:
2.41702
H Acceptors:
9
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: C₁₃H₁₉NO₂
Molecular Weight: 221.30
Synonyms: None
SMILES: OC1([C@H](NCC2=CC=C(OC)C=C2)C)CC1
Tpsa: 41.49
Logp: 1.6982
H Acceptors: 3
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:
C₁₃H₁₉NO₂
Molecular Weight:
221.30
Synonyms:
None
SMILES:
OC1([C@H](NCC2=CC=C(OC)C=C2)C)CC1
Tpsa:
41.49
Logp:
1.6982
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
5