CS-0099455
4-Cyano-4-(3,4-dimethoxyphenyl)-5-methylhexanoic acid
Manufacturer: ChemScene
CAS Number: 36622-23-8
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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
C₁₆H₂₁NO₄
Molecular Weight
291.34
Synonyms
verapamilic acid
SMILES
O=C(O)CCC(C(C)C)(C#N)C1=CC=C(OC)C(OC)=C1
Tpsa
79.55
Logp
2.98598
H Acceptors
4
H Donors
1
Rotatable Bonds
7
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: C₁₆H₂₁NO₄
Molecular Weight: 291.34
Synonyms: verapamilic acid
SMILES: O=C(O)CCC(C(C)C)(C#N)C1=CC=C(OC)C(OC)=C1
Tpsa: 79.55
Logp: 2.98598
H Acceptors: 4
H Donors: 1
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:
C₁₆H₂₁NO₄
Molecular Weight:
291.34
Synonyms:
verapamilic acid
SMILES:
O=C(O)CCC(C(C)C)(C#N)C1=CC=C(OC)C(OC)=C1
Tpsa:
79.55
Logp:
2.98598
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₁NO₄
Molecular Weight: 279.33
Synonyms: Methyl 3-(2-(tert-butoxycarbonyl)aminoethyl)benzoate
SMILES: O=C(OC)C1=CC=CC(CCNC(OC(C)(C)C)=O)=C1
Tpsa: 64.63
Logp: 2.5404
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₁NO₄
Molecular Weight:
279.33
Synonyms:
Methyl 3-(2-(tert-butoxycarbonyl)aminoethyl)benzoate
SMILES:
O=C(OC)C1=CC=CC(CCNC(OC(C)(C)C)=O)=C1
Tpsa:
64.63
Logp:
2.5404
H Acceptors:
4
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: C₁₇H₂₇Cl₂N₅.ClH.₁/₂H₂O
Molecular Weight: 417.81
Synonyms: None
SMILES: N=C(NC(NCCCCCCCC)=N)NCC1=CC=C(C(Cl)=C1)Cl.O.[1/2].Cl
Tpsa: 115.29
Logp: 4.72544
H Acceptors: 2
H Donors: 5
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₇Cl₂N₅.ClH.₁/₂H₂O
Molecular Weight:
417.81
Synonyms:
None
SMILES:
N=C(NC(NCCCCCCCC)=N)NCC1=CC=C(C(Cl)=C1)Cl.O.[1/2].Cl
Tpsa:
115.29
Logp:
4.72544
H Acceptors:
2
H Donors:
5
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₃NO₄
Molecular Weight: 293.36
Synonyms: None
SMILES: O=C(OC)C1=CC=CC(CCN(C(OC(C)(C)C)=O)C)=C1
Tpsa: 55.84
Logp: 2.8826
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:
C₁₆H₂₃NO₄
Molecular Weight:
293.36
Synonyms:
None
SMILES:
O=C(OC)C1=CC=CC(CCN(C(OC(C)(C)C)=O)C)=C1
Tpsa:
55.84
Logp:
2.8826
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4