CS-1005464
1-[4,5-Bis(hydroxymethyl)-2-methyl-3-pyridinyl] butanedioate
Manufacturer: ChemScene
CAS Number: 96181-47-4
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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
C₁₂H₁₅NO₆
Molecular Weight
269.25
Synonyms
None
SMILES
O=C(O)CCC(=O)OC=1C(=NC=C(C1CO)CO)C
Tpsa
116.95
Logp
0.14482
H Acceptors
6
H Donors
3
Rotatable Bonds
6
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: C₁₂H₁₅NO₆
Molecular Weight: 269.25
Synonyms: None
SMILES: O=C(O)CCC(=O)OC=1C(=NC=C(C1CO)CO)C
Tpsa: 116.95
Logp: 0.14482
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅NO₆
Molecular Weight:
269.25
Synonyms:
None
SMILES:
O=C(O)CCC(=O)OC=1C(=NC=C(C1CO)CO)C
Tpsa:
116.95
Logp:
0.14482
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂NOP
Molecular Weight: 287.34
Synonyms: None
SMILES: O=P(C=1C=CC=CC1)(C=2C=CC=CC2)CCCN(C)C
Tpsa: 20.31
Logp: 2.9522
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₂NOP
Molecular Weight:
287.34
Synonyms:
None
SMILES:
O=P(C=1C=CC=CC1)(C=2C=CC=CC2)CCCN(C)C
Tpsa:
20.31
Logp:
2.9522
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₄Cl₃N₃O₄S₂
Molecular Weight: 506.81
Synonyms: None
SMILES: O=S(=O)(NC=1C=CC=C(Cl)C1)C=2C=C(C(N)=CC2Cl)S(=O)(=O)NC=3C=CC=C(Cl)C3
Tpsa: 118.36
Logp: 4.8306
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₄Cl₃N₃O₄S₂
Molecular Weight:
506.81
Synonyms:
None
SMILES:
O=S(=O)(NC=1C=CC=C(Cl)C1)C=2C=C(C(N)=CC2Cl)S(=O)(=O)NC=3C=CC=C(Cl)C3
Tpsa:
118.36
Logp:
4.8306
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄N₄O₄
Molecular Weight: 266.25
Synonyms: None
SMILES: O=C(OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C
Tpsa: 88.12
Logp: -1.0032
H Acceptors: 8
H Donors: 0
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:
C₁₁H₁₄N₄O₄
Molecular Weight:
266.25
Synonyms:
None
SMILES:
O=C(OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C
Tpsa:
88.12
Logp:
-1.0032
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
3