CS-0571199
(E)-2-(pent-1-en-1-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 129780-59-2
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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
C₁₂H₁₄O₂
Molecular Weight
190.24
Synonyms
n-Butylphthalide-019-E
SMILES
C(=C/CCC)\C1=C(C(O)=O)C=CC=C1
Tpsa
37.3
Logp
3.1981
H Acceptors
1
H Donors
1
Rotatable Bonds
4
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: C₁₂H₁₄O₂
Molecular Weight: 190.24
Synonyms: n-Butylphthalide-019-E
SMILES: C(=C/CCC)\C1=C(C(O)=O)C=CC=C1
Tpsa: 37.3
Logp: 3.1981
H Acceptors: 1
H Donors: 1
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:
C₁₂H₁₄O₂
Molecular Weight:
190.24
Synonyms:
n-Butylphthalide-019-E
SMILES:
C(=C/CCC)\C1=C(C(O)=O)C=CC=C1
Tpsa:
37.3
Logp:
3.1981
H Acceptors:
1
H Donors:
1
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: C₈H₁₂N₂
Molecular Weight: 136.19
Synonyms: mexidol-003
SMILES: CCC1=C(C=CC(=N1)C)N
Tpsa: 38.91
Logp: 1.53462
H Acceptors: 2
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:
C₈H₁₂N₂
Molecular Weight:
136.19
Synonyms:
mexidol-003
SMILES:
CCC1=C(C=CC(=N1)C)N
Tpsa:
38.91
Logp:
1.53462
H Acceptors:
2
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: C₃₀H₂₉ClN₆O₄
Molecular Weight: 573.04
Synonyms: Neratinib dimethylamine N-oxide
SMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/C[N+](C)(C)[O-]
Tpsa: 132.22
Logp: 5.94508
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₀H₂₉ClN₆O₄
Molecular Weight:
573.04
Synonyms:
Neratinib dimethylamine N-oxide
SMILES:
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/C[N+](C)(C)[O-]
Tpsa:
132.22
Logp:
5.94508
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₄N₂O₂
Molecular Weight: 146.19
Synonyms: mildronate-010
SMILES: O=C(O)CCN(N(C)C)C
Tpsa: 43.78
Logp: -0.1305
H Acceptors: 3
H Donors: 1
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:
C₆H₁₄N₂O₂
Molecular Weight:
146.19
Synonyms:
mildronate-010
SMILES:
O=C(O)CCN(N(C)C)C
Tpsa:
43.78
Logp:
-0.1305
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4