CS-1004625
Methyl (4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
Manufacturer: ChemScene
CAS Number: 714963-28-7
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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
C₁₁H₁₇NO₄
Molecular Weight
227.26
Synonyms
None
SMILES
C(C(OC)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa
68.55
Logp
1.37338
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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: C₁₁H₁₇NO₄
Molecular Weight: 227.26
Synonyms: None
SMILES: C(C(OC)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa: 68.55
Logp: 1.37338
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₇NO₄
Molecular Weight:
227.26
Synonyms:
None
SMILES:
C(C(OC)=O)[C@H]1C[C@@H](CC#N)OC(C)(C)O1
Tpsa:
68.55
Logp:
1.37338
H Acceptors:
5
H Donors:
0
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: C₁₇H₁₉ClN₂
Molecular Weight: 286.80
Synonyms: None
SMILES: ClC1=CC=C(C(=C1)N2CCNCC2)CC=3C=CC=CC3
Tpsa: 15.27
Logp: 3.3404
H Acceptors: 2
H Donors: 1
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:
C₁₇H₁₉ClN₂
Molecular Weight:
286.80
Synonyms:
None
SMILES:
ClC1=CC=C(C(=C1)N2CCNCC2)CC=3C=CC=CC3
Tpsa:
15.27
Logp:
3.3404
H Acceptors:
2
H Donors:
1
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: C₂₂H₃₂O₂
Molecular Weight: 328.49
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@H]2C(CO)C)[H]
Tpsa: 37.3
Logp: 4.5389
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₂O₂
Molecular Weight:
328.49
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@H]2C(CO)C)[H]
Tpsa:
37.3
Logp:
4.5389
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₄Cl₄O₂
Molecular Weight: 321.97
Synonyms: None
SMILES: ClC=1C=C2OC=3C=CC=C(Cl)C3OC2=C(Cl)C1Cl
Tpsa: 18.46
Logp: 6.1982
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₄Cl₄O₂
Molecular Weight:
321.97
Synonyms:
None
SMILES:
ClC=1C=C2OC=3C=CC=C(Cl)C3OC2=C(Cl)C1Cl
Tpsa:
18.46
Logp:
6.1982
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0