CS-1004556
2,3-Butanediol, 2,3-dimethyl-, 2-(4-methylbenzenesulfonate)
Manufacturer: ChemScene
CAS Number: 68840-52-8
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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
C₁₃H₂₀O₄S
Molecular Weight
272.36
Synonyms
None
SMILES
O=S(=O)(OC(C)(C)C(O)(C)C)C1=CC=C(C=C1)C
Tpsa
63.6
Logp
2.24982
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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: C₁₃H₂₀O₄S
Molecular Weight: 272.36
Synonyms: None
SMILES: O=S(=O)(OC(C)(C)C(O)(C)C)C1=CC=C(C=C1)C
Tpsa: 63.6
Logp: 2.24982
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:
C₁₃H₂₀O₄S
Molecular Weight:
272.36
Synonyms:
None
SMILES:
O=S(=O)(OC(C)(C)C(O)(C)C)C1=CC=C(C=C1)C
Tpsa:
63.6
Logp:
2.24982
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: C₁₉H₂₄O₂
Molecular Weight: 284.39
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(C)C(O)=CC4)(CC1)[H])[H])(CCC2=O)[H]
Tpsa: 37.3
Logp: 4.12582
H Acceptors: 2
H Donors: 1
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:
C₁₉H₂₄O₂
Molecular Weight:
284.39
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@](C=4C(CC3)=C(C)C(O)=CC4)(CC1)[H])[H])(CCC2=O)[H]
Tpsa:
37.3
Logp:
4.12582
H Acceptors:
2
H Donors:
1
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: C₉H₁₇N₃O₄
Molecular Weight: 231.25
Synonyms: None
SMILES: O=C(O)CCNC(=O)CCNC(=O)CCN
Tpsa: 121.52
Logp: -1.5676
H Acceptors: 4
H Donors: 4
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:
C₉H₁₇N₃O₄
Molecular Weight:
231.25
Synonyms:
None
SMILES:
O=C(O)CCNC(=O)CCNC(=O)CCN
Tpsa:
121.52
Logp:
-1.5676
H Acceptors:
4
H Donors:
4
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: C₁₂H₂₂N₄O₅
Molecular Weight: 302.33
Synonyms: None
SMILES: O=C(O)CCNC(=O)CCNC(=O)CCNC(=O)CCN
Tpsa: 150.62
Logp: -2.0613
H Acceptors: 5
H Donors: 5
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:
C₁₂H₂₂N₄O₅
Molecular Weight:
302.33
Synonyms:
None
SMILES:
O=C(O)CCNC(=O)CCNC(=O)CCNC(=O)CCN
Tpsa:
150.62
Logp:
-2.0613
H Acceptors:
5
H Donors:
5
Rotatable Bonds:
11