CS-0046021
Methyl 2-chloro-9-(2-chloroethyl)-9H-purine-6-carboxylate
Manufacturer: ChemScene
CAS Number: 109047-45-2
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Purity
97%
MDL No
None
Storage
-20°C, sealed storage, away from moisture
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₈Cl₂N₄O₂
Molecular Weight
275.09
Synonyms
9H-Purine-6-carboxylic acid, 2-chloro-9-(2-chloroethyl)-, methyl ester
SMILES
O=C(C1=C2N=CN(CCCl)C2=NC(Cl)=N1)OC
Tpsa
69.9
Logp
1.5051
H Acceptors
6
H Donors
0
Rotatable Bonds
3
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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
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 97%
MDL No: None
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈Cl₂N₄O₂
Molecular Weight: 275.09
Synonyms: 9H-Purine-6-carboxylic acid, 2-chloro-9-(2-chloroethyl)-, methyl ester
SMILES: O=C(C1=C2N=CN(CCCl)C2=NC(Cl)=N1)OC
Tpsa: 69.9
Logp: 1.5051
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈Cl₂N₄O₂
Molecular Weight:
275.09
Synonyms:
9H-Purine-6-carboxylic acid, 2-chloro-9-(2-chloroethyl)-, methyl ester
SMILES:
O=C(C1=C2N=CN(CCCl)C2=NC(Cl)=N1)OC
Tpsa:
69.9
Logp:
1.5051
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₅N₃
Molecular Weight: 95.10
Synonyms: 4(1H)-Pyrimidinimine (9CI)
SMILES: N=C1N=CNC=C1
Tpsa: 52.53
Logp: -0.11083
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₅N₃
Molecular Weight:
95.10
Synonyms:
4(1H)-Pyrimidinimine (9CI)
SMILES:
N=C1N=CNC=C1
Tpsa:
52.53
Logp:
-0.11083
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0
Purity: 86.92%
MDL No: MFCD00005383
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃H₃ClO₃
Molecular Weight: 122.51
Synonyms: Chloroethyleneglycol carbonate
SMILES: O=C1OCC(Cl)O1
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
86.92%
MDL No:
MFCD00005383
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃H₃ClO₃
Molecular Weight:
122.51
Synonyms:
Chloroethyleneglycol carbonate
SMILES:
O=C1OCC(Cl)O1
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃NO₅
Molecular Weight: 227.21
Synonyms: 4-(tert-butoxycarbonyl)-5-methylisoxazole-3-carboxyic acid
SMILES: O=C(C1=NOC(C)=C1C(OC(C)(C)C)=O)O
Tpsa: 89.63
Logp: 1.63652
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃NO₅
Molecular Weight:
227.21
Synonyms:
4-(tert-butoxycarbonyl)-5-methylisoxazole-3-carboxyic acid
SMILES:
O=C(C1=NOC(C)=C1C(OC(C)(C)C)=O)O
Tpsa:
89.63
Logp:
1.63652
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2