CS-1004112
1,3-Propanediol, 2-ethyl-2-phenyl-, dicarbamate
Manufacturer: ChemScene
CAS Number: 53054-24-3
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Purity
≥95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₈N₂O₄
Molecular Weight
266.29
Synonyms
None
SMILES
O=C(OCC(C=1C=CC=CC1)(COC(=O)N)CC)N
Tpsa
104.64
Logp
1.525
H Acceptors
4
H Donors
2
Rotatable Bonds
6
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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: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₄
Molecular Weight: 266.29
Synonyms: None
SMILES: O=C(OCC(C=1C=CC=CC1)(COC(=O)N)CC)N
Tpsa: 104.64
Logp: 1.525
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 6
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₄
Molecular Weight:
266.29
Synonyms:
None
SMILES:
O=C(OCC(C=1C=CC=CC1)(COC(=O)N)CC)N
Tpsa:
104.64
Logp:
1.525
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
6
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀O₄
Molecular Weight: 218.21
Synonyms: None
SMILES: OC=1C=C(O)C=C(C1)C=2C=C(O)C=C(O)C2
Tpsa: 80.92
Logp: 2.176
H Acceptors: 4
H Donors: 4
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀O₄
Molecular Weight:
218.21
Synonyms:
None
SMILES:
OC=1C=C(O)C=C(C1)C=2C=C(O)C=C(O)C2
Tpsa:
80.92
Logp:
2.176
H Acceptors:
4
H Donors:
4
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: C₂₂H₁₇N₃O₅
Molecular Weight: 403.39
Synonyms: None
SMILES: O=C1N2[C@@H](C3=C([C@]2(C(=O)N(C)C1)[H])C(=O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa: 91.94
Logp: 1.7015
H Acceptors: 5
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:
C₂₂H₁₇N₃O₅
Molecular Weight:
403.39
Synonyms:
None
SMILES:
O=C1N2[C@@H](C3=C([C@]2(C(=O)N(C)C1)[H])C(=O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa:
91.94
Logp:
1.7015
H Acceptors:
5
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: C₁₅H₂₆O₉S
Molecular Weight: 382.43
Synonyms: None
SMILES: C(OS(OC(C)C)(=O)=O)[C@@H]1[C@]2([C@@]([C@@]3([C@](O1)(OC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H])[H]
Tpsa: 98.75
Logp: 1.0693
H Acceptors: 9
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₆O₉S
Molecular Weight:
382.43
Synonyms:
None
SMILES:
C(OS(OC(C)C)(=O)=O)[C@@H]1[C@]2([C@@]([C@@]3([C@](O1)(OC(C)(C)O3)[H])[H])(OC(C)(C)O2)[H])[H]
Tpsa:
98.75
Logp:
1.0693
H Acceptors:
9
H Donors:
0
Rotatable Bonds:
5