CS-1005327
Propanedioic acid, 2-[2-(4-pyridinyl)ethyl]-, 1,3-diethyl ester, hydrochloride 1:1
Manufacturer: ChemScene
CAS Number: 92501-99-0
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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
C₁₄H₂₀ClNO₄
Molecular Weight
301.77
Synonyms
None
SMILES
Cl.O=C(OCC)C(C(=O)OCC)CCC=1C=CN=CC1
Tpsa
65.49
Logp
2.1784
H Acceptors
5
H Donors
0
Rotatable Bonds
7
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: C₁₄H₂₀ClNO₄
Molecular Weight: 301.77
Synonyms: None
SMILES: Cl.O=C(OCC)C(C(=O)OCC)CCC=1C=CN=CC1
Tpsa: 65.49
Logp: 2.1784
H Acceptors: 5
H Donors: 0
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:
C₁₄H₂₀ClNO₄
Molecular Weight:
301.77
Synonyms:
None
SMILES:
Cl.O=C(OCC)C(C(=O)OCC)CCC=1C=CN=CC1
Tpsa:
65.49
Logp:
2.1784
H Acceptors:
5
H Donors:
0
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: C₁₆H₁₉ClFN₃O₂S
Molecular Weight: 371.86
Synonyms: None
SMILES: O=S(=O)(N(C=1N=C(C=2C=CC(F)=CC2)C(=C(N1)C(C)C)CCl)C)C
Tpsa: 63.16
Logp: 3.5407
H Acceptors: 4
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:
C₁₆H₁₉ClFN₃O₂S
Molecular Weight:
371.86
Synonyms:
None
SMILES:
O=S(=O)(N(C=1N=C(C=2C=CC(F)=CC2)C(=C(N1)C(C)C)CCl)C)C
Tpsa:
63.16
Logp:
3.5407
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉ClO₂
Molecular Weight: 172.61
Synonyms: None
SMILES: [C@@H](CCl)(O)C1=CC(O)=CC=C1
Tpsa: 40.46
Logp: 1.6644
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉ClO₂
Molecular Weight:
172.61
Synonyms:
None
SMILES:
[C@@H](CCl)(O)C1=CC(O)=CC=C1
Tpsa:
40.46
Logp:
1.6644
H Acceptors:
2
H Donors:
2
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: C₁₇H₁₂O₆
Molecular Weight: 312.27
Synonyms: None
SMILES: O=C1C=2C=C(O)C=C(OC(=O)C)C2C(=O)C3=C(O)C=C(C=C13)C
Tpsa: 100.9
Logp: 2.10692
H Acceptors: 6
H Donors: 2
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:
C₁₇H₁₂O₆
Molecular Weight:
312.27
Synonyms:
None
SMILES:
O=C1C=2C=C(O)C=C(OC(=O)C)C2C(=O)C3=C(O)C=C(C=C13)C
Tpsa:
100.9
Logp:
2.10692
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
1