CS-1004008
1,2-Dihydro-4-[(hydroxymethyl)amino]-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
Manufacturer: ChemScene
CAS Number: 500880-95-5
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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
C₁₂H₁₅N₃O₂
Molecular Weight
233.27
Synonyms
None
SMILES
O=C1C(NCO)=C(N(N1C=2C=CC=CC2)C)C
Tpsa
59.19
Logp
0.84612
H Acceptors
5
H Donors
2
Rotatable Bonds
3
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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: C₁₂H₁₅N₃O₂
Molecular Weight: 233.27
Synonyms: None
SMILES: O=C1C(NCO)=C(N(N1C=2C=CC=CC2)C)C
Tpsa: 59.19
Logp: 0.84612
H Acceptors: 5
H Donors: 2
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:
C₁₂H₁₅N₃O₂
Molecular Weight:
233.27
Synonyms:
None
SMILES:
O=C1C(NCO)=C(N(N1C=2C=CC=CC2)C)C
Tpsa:
59.19
Logp:
0.84612
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃Br₂ClO₂
Molecular Weight: 314.36
Synonyms: None
SMILES: O=C(O)C1=CC(Br)=C(Cl)C(Br)=C1
Tpsa: 37.3
Logp: 3.5632
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃Br₂ClO₂
Molecular Weight:
314.36
Synonyms:
None
SMILES:
O=C(O)C1=CC(Br)=C(Cl)C(Br)=C1
Tpsa:
37.3
Logp:
3.5632
H Acceptors:
1
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: C₂₀H₃₅NO₁₁
Molecular Weight: 465.49
Synonyms: None
SMILES: O([C@@H]1[C@@H](CO)O[C@@](CN2C[C@H](CC(C)C)CC2=O)(O)[C@H]1O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O
Tpsa: 189.61
Logp: -3.4933
H Acceptors: 11
H Donors: 7
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:
C₂₀H₃₅NO₁₁
Molecular Weight:
465.49
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](CO)O[C@@](CN2C[C@H](CC(C)C)CC2=O)(O)[C@H]1O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O
Tpsa:
189.61
Logp:
-3.4933
H Acceptors:
11
H Donors:
7
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: C₂₀H₃₅NO₁₁
Molecular Weight: 465.49
Synonyms: None
SMILES: O([C@H]1[C@H](O)[C@](CN2C[C@H](CC(C)C)CC2=O)(O)OC[C@H]1O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O
Tpsa: 189.61
Logp: -3.4933
H Acceptors: 11
H Donors: 7
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:
C₂₀H₃₅NO₁₁
Molecular Weight:
465.49
Synonyms:
None
SMILES:
O([C@H]1[C@H](O)[C@](CN2C[C@H](CC(C)C)CC2=O)(O)OC[C@H]1O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O
Tpsa:
189.61
Logp:
-3.4933
H Acceptors:
11
H Donors:
7
Rotatable Bonds:
7