CS-0109639
Diethyl 2-acetamido-2-((5-methyl-1H-indol-3-yl)methyl)malonate
Manufacturer: ChemScene
CAS Number: 114872-67-2
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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
C₁₉H₂₄N₂O₅
Molecular Weight
360.40
Synonyms
Propanedioic acid, 2-(acetylamino)-2-[(5-methyl-1H-indol-3-yl)methyl]-, 1,3-diethyl ester
SMILES
CC1=CC=C(C2=C1)NC=C2CC(C(OCC)=O)(NC(C)=O)C(OCC)=O
Tpsa
97.49
Logp
2.01992
H Acceptors
5
H Donors
2
Rotatable Bonds
7
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: C₁₉H₂₄N₂O₅
Molecular Weight: 360.40
Synonyms: Propanedioic acid, 2-(acetylamino)-2-[(5-methyl-1H-indol-3-yl)methyl]-, 1,3-diethyl ester
SMILES: CC1=CC=C(C2=C1)NC=C2CC(C(OCC)=O)(NC(C)=O)C(OCC)=O
Tpsa: 97.49
Logp: 2.01992
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₄N₂O₅
Molecular Weight:
360.40
Synonyms:
Propanedioic acid, 2-(acetylamino)-2-[(5-methyl-1H-indol-3-yl)methyl]-, 1,3-diethyl ester
SMILES:
CC1=CC=C(C2=C1)NC=C2CC(C(OCC)=O)(NC(C)=O)C(OCC)=O
Tpsa:
97.49
Logp:
2.01992
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₈NO₄P
Molecular Weight: 247.23
Synonyms: None
SMILES: CC1(P2(OCC(C)(C)CO2)=O)[N+]([O-])=CCC1
Tpsa: 61.6
Logp: 2.3436
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₈NO₄P
Molecular Weight:
247.23
Synonyms:
None
SMILES:
CC1(P2(OCC(C)(C)CO2)=O)[N+]([O-])=CCC1
Tpsa:
61.6
Logp:
2.3436
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 95%
MDL No: MFCD28064328
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₂₅NO₆
Molecular Weight: 279.33
Synonyms: None
SMILES: CNCCOCCOCCOCCOCCC(O)=O
Tpsa: 86.25
Logp: -0.2531
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 15
Purity:
95%
MDL No:
MFCD28064328
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₂₅NO₆
Molecular Weight:
279.33
Synonyms:
None
SMILES:
CNCCOCCOCCOCCOCCC(O)=O
Tpsa:
86.25
Logp:
-0.2531
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀ClN₃
Molecular Weight: 171.63
Synonyms: None
SMILES: ClC1=CN(C2CNCC2)N=C1
Tpsa: 29.85
Logp: 1.0709
H Acceptors: 3
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:
C₇H₁₀ClN₃
Molecular Weight:
171.63
Synonyms:
None
SMILES:
ClC1=CN(C2CNCC2)N=C1
Tpsa:
29.85
Logp:
1.0709
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1