CS-1004131
2-[3-[Bis(2-chloroethyl)amino]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one
Manufacturer: ChemScene
CAS Number: 53689-10-4
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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
C₁₃H₁₈Cl₂N₄O
Molecular Weight
317.21
Synonyms
None
SMILES
O=C1N2C=CC=CC2=NN1CCCN(CCCl)CCCl
Tpsa
42.54
Logp
1.6657
H Acceptors
5
H Donors
0
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 53689-10-4 | 2-[3-[Bis(2-chloroethyl)amino]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one | A2B Chem | -- |
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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: C₁₃H₁₈Cl₂N₄O
Molecular Weight: 317.21
Synonyms: None
SMILES: O=C1N2C=CC=CC2=NN1CCCN(CCCl)CCCl
Tpsa: 42.54
Logp: 1.6657
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈Cl₂N₄O
Molecular Weight:
317.21
Synonyms:
None
SMILES:
O=C1N2C=CC=CC2=NN1CCCN(CCCl)CCCl
Tpsa:
42.54
Logp:
1.6657
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
8
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₃NO₂
Molecular Weight: 167.21
Synonyms: None
SMILES: C(O)(=O)[C@@H]1CC2=C(N1)CCCC2
Tpsa: 49.33
Logp: 1.261
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₃NO₂
Molecular Weight:
167.21
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1CC2=C(N1)CCCC2
Tpsa:
49.33
Logp:
1.261
H Acceptors:
2
H Donors:
2
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: C₇H₉Cl₂N₃O₂
Molecular Weight: 238.07
Synonyms: None
SMILES: O=N(=O)C1=CN=C(N1CC(Cl)CCl)C
Tpsa: 60.96
Logp: 1.94592
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉Cl₂N₃O₂
Molecular Weight:
238.07
Synonyms:
None
SMILES:
O=N(=O)C1=CN=C(N1CC(Cl)CCl)C
Tpsa:
60.96
Logp:
1.94592
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₅₄Br₆O₂₄
Molecular Weight: 1350.22
Synonyms: None
SMILES: C(Br)[C@@H]1[C@@]2([C@H](O)[C@@H](O)[C@](O1)(O[C@@]3([C@@H](CBr)O[C@@]([C@H](O)[C@H]3O)(O[C@@]4([C@@H](CBr)O[C@@]([C@H](O)[C@H]4O)(O[C@]5([C@H](O)[C@@H](O)[C@@](O[C@]6([C@H](O)[C@@H](O)[C@@](O[C@]7([C@H](O)[C@@H](O)[C@@](O2)(O[C@@H]7CBr)[H])[H])(O[C@@H]6CBr)[H])[H])(O[C@@H]5CBr)[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa: 353.52
Logp: -4.6392
H Acceptors: 24
H Donors: 12
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₅₄Br₆O₂₄
Molecular Weight:
1350.22
Synonyms:
None
SMILES:
C(Br)[C@@H]1[C@@]2([C@H](O)[C@@H](O)[C@](O1)(O[C@@]3([C@@H](CBr)O[C@@]([C@H](O)[C@H]3O)(O[C@@]4([C@@H](CBr)O[C@@]([C@H](O)[C@H]4O)(O[C@]5([C@H](O)[C@@H](O)[C@@](O[C@]6([C@H](O)[C@@H](O)[C@@](O[C@]7([C@H](O)[C@@H](O)[C@@](O2)(O[C@@H]7CBr)[H])[H])(O[C@@H]6CBr)[H])[H])(O[C@@H]5CBr)[H])[H])[H])[H])[H])[H])[H])[H]
Tpsa:
353.52
Logp:
-4.6392
H Acceptors:
24
H Donors:
12
Rotatable Bonds:
6