CS-0347242
Methyl 4-(((cyanomethyl)(ethyl)amino)methyl)benzoate
Manufacturer: ChemScene
CAS Number: 1308168-79-7
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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
C₁₃H₁₆N₂O₂
Molecular Weight
232.28
Synonyms
Benzoic acid, 4-[[(cyanomethyl)ethylamino]methyl]-, methyl ester
SMILES
O=C(OC)C1=CC=C(CN(CC#N)CC)C=C1
Tpsa
53.33
Logp
1.81868
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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: C₁₃H₁₆N₂O₂
Molecular Weight: 232.28
Synonyms: Benzoic acid, 4-[[(cyanomethyl)ethylamino]methyl]-, methyl ester
SMILES: O=C(OC)C1=CC=C(CN(CC#N)CC)C=C1
Tpsa: 53.33
Logp: 1.81868
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:
C₁₃H₁₆N₂O₂
Molecular Weight:
232.28
Synonyms:
Benzoic acid, 4-[[(cyanomethyl)ethylamino]methyl]-, methyl ester
SMILES:
O=C(OC)C1=CC=C(CN(CC#N)CC)C=C1
Tpsa:
53.33
Logp:
1.81868
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₀FNO₂
Molecular Weight: 183.18
Synonyms: METHYL 4-(AMINOMETHYL)-3-FLUOROBENZOATE HCL
SMILES: O=C(OC)C1=CC=C(CN)C(F)=C1
Tpsa: 52.32
Logp: 1.071
H Acceptors: 3
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:
C₉H₁₀FNO₂
Molecular Weight:
183.18
Synonyms:
METHYL 4-(AMINOMETHYL)-3-FLUOROBENZOATE HCL
SMILES:
O=C(OC)C1=CC=C(CN)C(F)=C1
Tpsa:
52.32
Logp:
1.071
H Acceptors:
3
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: C₁₆H₁₇NO₅S
Molecular Weight: 335.37
Synonyms: None
SMILES: O=C(OC)C1=CC=C(CN2/C(SCC2=O)=C/C(OCC)=O)C=C1
Tpsa: 72.91
Logp: 1.9531
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₇NO₅S
Molecular Weight:
335.37
Synonyms:
None
SMILES:
O=C(OC)C1=CC=C(CN2/C(SCC2=O)=C/C(OCC)=O)C=C1
Tpsa:
72.91
Logp:
1.9531
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂N₂O₂
Molecular Weight: 216.24
Synonyms: Methyl 4-(1H-imidazol-1-ylmethyl)benzoate
SMILES: O=C(OC)C1=CC=C(CN2C=CN=C2)C=C1
Tpsa: 44.12
Logp: 1.718
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₂N₂O₂
Molecular Weight:
216.24
Synonyms:
Methyl 4-(1H-imidazol-1-ylmethyl)benzoate
SMILES:
O=C(OC)C1=CC=C(CN2C=CN=C2)C=C1
Tpsa:
44.12
Logp:
1.718
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3