CS-0083606
W-2100
Manufacturer: ChemScene
CAS Number: 74936-76-8
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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
C₁₈H₂₀N₂O₇
Molecular Weight
376.36
Synonyms
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester
SMILES
O=C(OCCOC)C1=C(NC(C)=C(C1C2=CC=CC([N+]([O-])=O)=C2)C(O)=O)C
Tpsa
128
Logp
2.1038
H Acceptors
7
H Donors
2
Rotatable Bonds
7
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₈H₂₀N₂O₇
Molecular Weight: 376.36
Synonyms: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester
SMILES: O=C(OCCOC)C1=C(NC(C)=C(C1C2=CC=CC([N+]([O-])=O)=C2)C(O)=O)C
Tpsa: 128
Logp: 2.1038
H Acceptors: 7
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:
C₁₈H₂₀N₂O₇
Molecular Weight:
376.36
Synonyms:
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) ester
SMILES:
O=C(OCCOC)C1=C(NC(C)=C(C1C2=CC=CC([N+]([O-])=O)=C2)C(O)=O)C
Tpsa:
128
Logp:
2.1038
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃NO₃
Molecular Weight: 147.17
Synonyms: None
SMILES: O=C(CCCO)NCCO
Tpsa: 69.56
Logp: -1.1326
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃NO₃
Molecular Weight:
147.17
Synonyms:
None
SMILES:
O=C(CCCO)NCCO
Tpsa:
69.56
Logp:
-1.1326
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₂ClN₃O₄
Molecular Weight: 510.02
Synonyms: None
SMILES: ClC1=CC=C([C@H](OC2CCNCC2)C3=CC=CC=N3)C=C1.CC(N[C@@H](CC4=CC=CC=C4)C(O)=O)=O
Tpsa: 100.55
Logp: 4.4114
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₂ClN₃O₄
Molecular Weight:
510.02
Synonyms:
None
SMILES:
ClC1=CC=C([C@H](OC2CCNCC2)C3=CC=CC=N3)C=C1.CC(N[C@@H](CC4=CC=CC=C4)C(O)=O)=O
Tpsa:
100.55
Logp:
4.4114
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
8
Purity: 98%
MDL No: MFCD28400780
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₁BF₂N₄O
Molecular Weight: 334.17
Synonyms: None
SMILES: O=C(NCCN)CCC1=CC=C(C=C(C(C)=C2)[N]3=C2C)[N-]1[B+3]3([F-])[F-]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
MFCD28400780
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₁BF₂N₄O
Molecular Weight:
334.17
Synonyms:
None
SMILES:
O=C(NCCN)CCC1=CC=C(C=C(C(C)=C2)[N]3=C2C)[N-]1[B+3]3([F-])[F-]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A